Patent Abstract:
Methods and apparatus for controlling an automated material handling procedure. The method includes receiving a recipe file comprising component information and mapping information; interacting with a user to create a procedure for executing a set of material handling steps; and causing a automated material-handling apparatus to carry out the set of material-handling steps by executing the procedure. The mapping information relates a source component and a destination component. The mapping information defines one or more transfers of at least one source component material to at least one destination component location. The method includes providing to the user an assortment of pre-programmed code objects and receiving from the user a selection and arrangement of the pre-programmed code objects. The procedure is defined by the user&#39;s selection and arrangement. The procedure contains at least one first pre-programmed code object operable to read and interpret the recipe file and at least one second pre-programmed code object operable to interpret a mapping read from the recipe file.

Full Description:
MICROFICHE APPENDIX 
     This application includes, as Appendix A, a microfiche appendix titled “Appendix A—Microfiche of Source Code”, having one fiche with a total of 59 frames. 
     The foregoing portion of the disclosure of this patent document contains material that is subject to copyright protection. The copyright owner has no objection to the facsimile reproduction by anyone of the patent document or the patent disclosure, as it appears in the Patent and Trademark Office patent file or records, but otherwise reserves all copyright rights whatsoever. 
     BACKGROUND OF THE INVENTION 
     The present invention relates to methods and apparatus for controlling automated material-handling procedures. 
     Traditionally, the discovery and development of materials has predominantly been a trial and error process carried out by scientists who generate data one experiment at a time. This process suffers from low success rates, long time lines and high costs, particularly as the desired materials increase in complexity. When a material is composed of multiple components, theory provides little guidance and the large variety of combinations of components takes a substantial amount of time to prepare and analyze. 
     Combinatorial materials science addresses some of these challenges. Combinatorial materials science refers generally to methods for creating a collection (or “library”) of chemically diverse compounds or materials and/or to methods for rapidly testing or screening such libraries for desirable performance characteristics and properties. By parallel or rapid serial testing of many compounds or materials, combinatorial techniques accelerate the speed of research, facilitate breakthroughs and expand the amount of information available to researchers. Furthermore, the ability to examine the relationships between hundreds or thousands of materials in a short period of time enables scientists to make well-informed decisions in the discovery process and to identify unexpected trends. 
     Implementation of combinatorial screening methods depends on the ability to prepare libraries of materials using combinatorial synthetic techniques. These techniques typically employ a robot to automate library preparation and screening, and computer programs have been used to control such robots. 
     SUMMARY OF THE INVENTION 
     The invention features methods and apparatus, including computer program products, operable to control automated material handling procedures. The invention is particularly useful for controlling the automated synthesis and/or screening of combinatorial libraries, but is generally useful for controlling material handling procedures involving the transfer of materials from one or more source locations to one or more destination locations. 
     In general, in one aspect, the invention features a computer program on a computer-readable medium for controlling a material-handling apparatus. The program includes instructions operable to cause a programmable processor to provide an assortment of pre-programmed code objects; and receive from a user a selection and arrangement of pre-programmed code objects from the assortment. The assortment includes a first pre-programmed code object operable to receive an input defining one or more source components, one or more destination components and one or more mappings. Each mapping relates a source component and a destination component and defines one or more transfers of at least one source component material to at least one destination component locations. The selection defines a set of material handling steps. The arrangement defines an order of execution for the selected pre-programmed code objects. 
     Implementations of the invention can include one or more of the following advantageous features. The first pre-programmed code object is operable to interact with a user to receive a mapping. The first pre-programmed code object is operable to interact with a user to associate the source component with one or more source locations and the destination component with a destination location including an access port of an analytical device. The input is a recipe file including library design information defining the source component, the destination component and the mapping. The material handling steps define a procedure for synthesizing a combinatorial library of materials. The mapping defines a gradient for distributing the source component materials among the destination locations. The first pre-programmed code object is operable to interact with a user to associate the source component with one or more source locations, each of which has a source component material, and the destination component with a plurality of destination locations corresponding to a plurality of members of the combinatorial library. The assortment includes at least one second pre-programmed code object operable to label a mapping for processing by at least one third pre-programmed code object to be executed subsequently in the arrangement. The arrangement includes a logical hierarchy including a parent pre-programmed code object and at least one child pre-programmed code object. The parent pre-programmed code object is operable to define a condition determining whether the at least one child pre-programmed code object will be executed subsequently in the arrangement. The parent pre-programmed code object is operable to provide that the at least one child pre-programmed code object will be executed at least one time for each mapping defined by the input. The parent pre-programmed code object is operable to provide that the at least one child pre-programmed code object will be executed at least one time for each transfer defined by one of the one or more mappings. The condition is a “for” condition. The condition is a “while” condition. The condition is an “if” condition. 
     In general, in another aspect, the invention features a computer program for controlling an automated material-handling apparatus for carrying out a set of material-handling steps. The program includes instructions operable to cause a programmable processor to receive a recipe file comprising component information and mapping information; interact with a user to create a procedure for executing the set of material handling steps; and cause the automated material-handling apparatus to carry out the set of material-handling steps by executing the procedure. The mapping information relates a source component and a destination component. The mapping information defines one or more transfers of at least one source component material to at least one destination component location. The program includes instructions to provide to the user an assortment of pre-programmed code objects and receive from the user a selection and arrangement of the pre-programmed code objects. The procedure is defined by the user&#39;s selection and arrangement. The procedure contains at least one first pre-programmed code object operable to read and interpret the recipe file and at least one second pre-programmed code object operable to interpret a mapping read from the recipe file. 
     Implementations of the invention can include one or more of the following advantageous features. The program includes instructions operable to cause a programmable processor to interact with a user to create a resource hierarchy including one or more resource objects defining at least one hardware device of the automated material-handling apparatus coupled to the programmable processor. The program includes instructions operable to cause a programmable processor to interact with a user to create a system hierarchy including one or more system objects defining one or more robot arms coupled to the at least one hardware device of the automated material-handling apparatus. The program includes instructions operable to cause a programmable processor to interact with a user to create a substrate hierarchy including one or more substrate objects defining a geometry for at least one substrate. The program includes instructions operable to cause a programmable processor to interact with a user to create a one or more position objects for each substrate object in the substrate hierarchy. At least one substrate object corresponds to one or more source locations. At least one substrate object corresponds to one or more destination locations. Execution of the procedure translates the component information and the mapping information to machine level commands for controlling the automated material-handling apparatus. The program includes instructions operable to enable the user to modify the procedure during execution. 
     In general, in another aspect, the invention features a computer-implemented method for controlling a material-handling apparatus. The method includes providing an assortment of pre-programmed code objects; and receiving from a user a selection and arrangement of pre-programmed code objects from the assortment. The assortment includes a first pre-programmed code object operable to receive an input defining one or more source components, one or more destination components and one or more mappings. Each mapping relates a source component and a destination component and defines one or more transfers of at least one source component material to at least one destination component locations. The selection defines a set of material handling steps. The arrangement defines an order of execution for the selected pre-programmed code objects. 
     Implementations of the invention can include one or more of the following advantageous features. The first pre-programmed code object is operable to interact with a user to receive a mapping arrangement which defines a material-handling procedure for execution by the material-handling apparatus. The first pre-programmed code object is operable to interact with a user to associate the source component with one or more source locations and the destination component with a destination location comprising an access port of an analytical device. The input is a recipe file including library design information defining the source component, the destination component and the mapping. The material handling steps define a procedure for synthesizing a combinatorial library of materials. The mapping defines a gradient for distributing the source component materials among the destination locations. The first pre-programmed code object is operable to interact with a user to associate the source component with one or more source location, each of which has a source component material, and the destination component with a plurality of destination locations corresponding to a plurality of members of the combinatorial library. The assortment includes at least one second pre-programmed code object operable to label a mapping for processing by at least one third pre-programmed code object to be executed subsequently in the arrangement. The arrangement includes a logical hierarchy including a parent pre-programmed code object and at least one child pre-programmed code object. The parent pre-programmed code object is operable to define a condition determining whether the at least one child pre-programmed code object will be executed subsequently in the arrangement. The parent pre-programmed code object is operable to provide that the at least one child pre-programmed code object will be executed at least one time for each mapping defined by the input. The parent pre-programmed code object is operable to provide that the at least one child pre-programmed code object will be executed at least one time for each transfer defined by one of the one or more mappings. The condition is a “for” condition. The condition is a “while” condition. The condition is an “if” condition. 
     In general, in another aspect, the invention features a method of controlling an automated material-handling apparatus for executing a set of material-dispensing steps. The method includes receiving a recipe file comprising component information and mapping information; interacting with a user to create a procedure for synthesizing the combinatorial library; and causing the automated material-handling apparatus to synthesize the combinatorial library by executing the procedure. The mapping information relates a source component and a destination component. The mapping information defines one or more transfers of at least one source component material to at least one destination component location. The method includes providing to the user an assortment of pre-programmed code objects and receiving from the user a selection and arrangement of the pre-programmed code objects. The procedure is defined by the user&#39;s selection and arrangement. The procedure contains at least one first pre-programmed code object operable to read and interpret the recipe file and at least one second pre-programmed code object operable to interpret a mapping read from the recipe file. 
     Implementations of the invention can include one or more of the following advantageous features. The method includes interacting with a user to create a resource hierarchy including one or more resource objects defining at least one hardware device of the automated material-handling apparatus coupled to the programmable processor. The method includes interacting with a user to create a system hierarchy including one or more system objects defining one or more robot arms coupled to the at least one hardware device of the automated material-handling apparatus. The method includes interacting with a user to create a substrate hierarchy including one or more substrate objects defining a geometry for at least one substrate. The method includes interacting with a user to create a one or more position objects for each substrate object in the substrate hierarchy. At least one substrate object corresponds to one or more source locations. At least one substrate object corresponds to one or more destination locations. Execution of the procedure translates the component information and the mapping information to machine level commands for controlling the automated material-handling apparatus. The method includes modifying the procedure during execution. 
     In general, in another aspect, the invention features a system for executing a set of material-handling steps. The system includes means for receiving a recipe file comprising component information and mapping information; means for interacting with a user to create a procedure for synthesizing a combinatorial library of materials; and means for synthesizing the combinatorial library by executing the procedure. The mapping information relates a source component and a destination component and defining one or more transfers of at least one source component material to at least one destination component location. The means for interacting with the user includes means for providing to the user an assortment of pre-programmed code objects and means for receiving from the user a selection and arrangement of the pre-programmed code objects. The procedure is defined by the user&#39;s selection and arrangement. The procedure contains at least one first pre-programmed code object operable to read and interpret the recipe file and at least one second pre-programmed code object operable to interpret a mapping read from the recipe file. 
     Advantages that can be seen in implementations of the invention include one or more of the following. The use of code blocks allows users to create highly customized procedures for a wide variety of material-handling processes including preparation or synthesis of combinatorial libraries as well as characterization of libraries of materials. New code blocks can be generated and collections created storing code blocks for use in future procedures. Procedures can be changed on the fly to allow experimentation and process exploration. Procedures are not restricted to specific hardware. The use of code blocks in a graphical programming environment allows users to create procedures without requiring knowledge of complicated programming languages. Procedures can be run with minimal user interaction during execution. The use of high level library design data allows the synthesis of libraries designed in different design environments. 
     The details of one or more embodiments of the invention are set forth in the accompanying drawings and the description below. Other features and advantages of the invention will become apparent from the description, the drawings, and the claims. 
    
    
     BRIEF DESCRIPTION OF THE DRAWINGS 
     FIG. 1 is a block diagram illustrating a system for controlling an automated material handling procedure. 
     FIG. 2 is a flow diagram generally illustrating a method of controlling an automated material handling procedure. 
     FIG. 3 is a flow diagram illustrating a method of controlling an automated material handling procedure in more detail. 
     FIG. 4 is an example of a dialog window displaying a procedure generated according to the claimed invention. 
     FIG. 5 is a flow diagram illustrating a method of generating a procedure. 
     FIG. 6 is an example of a dialog window displaying a list of procedures and an event log according to the claimed invention. 
     FIG. 7 is a window illustrating a procedure for processing multiple tagged mappings. 
     FIG. 8 is a window illustrating a material-handling procedure for characterizing a library of materials. 
    
    
     Like reference numbers and designations in the various drawings indicate like elements. 
     DETAILED DESCRIPTION 
     A series of user-selected procedures is used to implement a set of material-processing instructions. In one embodiment that will be described, the instructions are obtained from a recipe file for the automated synthesis of a combinatorial library of materials. Materials can include any type of chemical compound, mixture or other material of interest. The combinatorial library of materials is prepared by placing components in a destination, such as a microtiter plate, silicon wafer or the like. Each destination includes an array of regions, which may include, for example, the wells of a microtiter plate or locations on a wafer. The resulting set of materials is the library, which includes a set of “members” corresponding to materials at each region of the destination array. A library can be arranged in any convenient geometric shape, such as a square, rectangle, circle or triangle. For discussions of combinatorial strategies, library design strategies and a related discussion of regions, see U.S. application Ser. No. 09/156,827, filed Sep. 18, 1998, and U.S. application Ser. No. 09/174,856, filed on Oct. 19, 1998, and U.S. Pat. No. 5,776,359, all of which are incorporated herein by reference in their entireties. 
     As shown in FIGS. 1 and 2, a system  100  includes a computer  110  equipped with input/output devices  120 . A set of material handling instructions is generated in design module  130  and provided to control module  140  (step  200 ). Alternatively, control module  140  retrieves instructions from memory  150 . Suitable instructions can be provided in a “Recipe file” and can include, for example, component information identifying source and destination components (representing physical containers such as vials or microtiter plates or physical locations such as regions on a substrate wafer) to be used in the synthesis of a library, mapping information relating each source to one or more destination components and identifying amounts of each source to be used to synthesize each library member, and parameters defining reaction conditions for the combination of components to form individual library members. 
     Mapping information can include, for example, a list of specific amounts of materials to be transferred from one or more source vials to each of a set of destination wells. Mapping information can also include gradients specifying a range of amounts of a material or materials to be transferred from a particular source to a series of wells, with the amount to be transferred to each destination well determined according to a linear, exponential, logarithmic, polynomial, geometric or other mathematical expression. The creation of recipe files is described in co-pending U.S. application Ser. No. 09/174,856, filed on Oct. 19, 1998, which is incorporated herein by reference in its entirety. Control module  140  captures the component, mapping and parameter information from a recipe file and makes the information available for use by user-defined procedures as will be described below. 
     A typical user of system  100  is a chemist. Through user interface  160 , the user initializes system  100  and creates a procedure using object editor  170  (step  210 ). Control module  140  executes the procedure (step  220 ), causing material handling apparatus  180  to, for example, synthesize a combinatorial library specified by the set of instructions in the recipe file. In the described embodiment, control module  140  communicates directly with apparatus  180 , for example, by transmitting text commands through a serial port or ports to apparatus  180 . Alternatively, commands generated by module  140  can be implemented by drivers for apparatus  180  installed on computer  110 . 
     Appropriate apparatus  180  can include, for example, automated liquid handling robots, such as the RSP 900 Robotic Sample Processor, available from Cavro Scientific Instruments, Inc. of Sunnyvale, Calif., or equivalents. Apparatus  180  can also include automated systems performing different types of physical or chemical vapor deposition. In liquid handling, mixtures of solutions are typically dispensed in an array of miniature wells to create a library. In vacuum deposition, solid elements or chemicals or mixtures of solid elements or chemicals are vaporized and deposited as individual components on a substrate. The deposition may be controlled by a series of shutters and masks to manufacture the library. For an example of deposition equipment, see WO98/47613 (U.S. application Ser. No. 08/841,423), filed on Apr. 22, 1997. 
     Referring to FIG. 3, a method of using system  100  to synthesize a combinatorial library of materials is described in more detail. In each of the first four steps of the method (steps  300 ,  310 ,  320  and  330 ), the user employs object editor  170  to create and configure data objects defining the hardware and processes for the desired synthesis. Each data object has an associated set of properties. The user selects and inserts data objects into a hierarchy of objects defining the hardware and processes for the system, and customizes the selected objects by manipulating the properties associated with each object as will be described in more detail below. Data objects are generated by the editor  170  through the use of computer programming techniques conventional in object-oriented programming. The editor is advantageously implemented to have a graphical user interface. 
     In one embodiment, as shown in FIG. 4, user interface  160  displays window  400  including an object hierarchy or tree  403  (in this case for procedure objects  405  and  408 ) in pane  410 . The user manipulates the properties of selected objects—for example, properties  414  and  418  of selected For Loop object  432 —by entering text or selecting values in the corresponding fields of pane  420 , in this example, fields  424  and  428 . The user need not have any familiarity with the generation of the data objects themselves, or of the object-oriented programming techniques used to generate the data objects, in order to manipulate data objects as described below. 
     Referring again to FIG. 3, the user defines the physical hardware resources available to system  100  through user interface  160  (step  300 ). As described above, appropriate hardware resources includes devices such as automated synthesis robots, syringe pump controllers, physical and vapor deposition systems and the like. Hardware resources can also include temperature controllers for regulating the temperature of one or more source or destination vials or plates, syringes or other dispensing apparatus. The user defines each hardware device attached to system  100  by creating a hardware resource data object specifically configured for the device in question, for example, specifying a serial port through which the device is attached to computer  110 . Each hardware resource object implements a protocol for communication between computer  110  and the particular device in question, giving computer  110  (and the user) access to the device&#39;s functionality. 
     The user defines the properties of the specific arms, syringes, shutters, masks or other devices installed in system  100  by creating system data objects for each such device (step  310 ). Each system object identifies a hardware resource selected from those already defined (e.g., a particular robot or pump controller) that will control the device in question. Other system object properties include the device address, the configuration of syringes attached to an arm (e.g., in series or in parallel), motion limits, step size and reference positions for arm movements, and resolution, volume and dispensing characteristics for syringes and the like. 
     The user also identifies each source of starting materials and each destination by creating a substrate data object defining the geometry for each single-well or multi-well substrate to be accessed by system  100 ; specific positions for these substrates on the work surface are defined using position objects, which the user inserts as child objects of the respective substrate object (step  320 ). For a substrate object corresponding to a single well substrate or vial, user-defined properties include, for example, the vial&#39;s cross-sectional area and height, as well as the position at which the system will dispense liquid into the vial. A vial position object associated with each vial defines the coordinates of the vial&#39;s location on the work surface. Properties for two-dimensional substrate arrays include, for example, all of those associated with the single well substrate, as well as the number of rows and columns and the relevant spacing. A plate position object defines the location of the two-dimensional array on the work surface by specifying, for example, grid coordinates of opposite corners of the array. 
     The user creates a procedure object (step  330 ) by assembling a hierarchy of code objects that can be executed by control module  140  and robot  180 . The process of using object editor  170  to create a liquid-dispensing procedure is described in reference to FIG.  5 . The user creates a procedure object using object editor  170  (step  500 ). The user selects a code object for performing a desired function—such as loading synthesis instructions, initializing one or more robot arms, setting parameters for arm and syringe movement, moving arms, aspirating or dispensing liquids with syringes and the like—from a set of objects accessible by object editor  170  and inserts the object at the appropriate location in the procedure object&#39;s logical hierarchy (step  510 ). The user can also select a “container” object from a code library. As suggested by the name, container objects are containers used to group other objects into functional units, which can then be saved, copied and inserted into other procedures as a unit. Container objects can include conditional “For Loop”, “If” and “While Loop” objects including one or more functional descendant or child objects that are executed zero, one or more times in a procedure according to the occurrence of a specified condition, as is described in more detail below. 
     An example of a selection of suitable code objects is provided in Table 1, below. 
     
       
         
               
               
               
             
           
               
                 TABLE 1 
               
               
                   
               
               
                 Object Name 
                 Properties 
                 Description 
               
               
                   
               
             
             
               
                 Aspirate 
                 Arm 
                 Arm containing the desired syringe, selected 
               
               
                   
                   
                 from arms defined for system 
               
               
                   
                 Syringe 
                 Syringe with which to aspirate, selected from 
               
               
                   
                   
                 syringes defined for arm 
               
               
                   
                 Wait for 
                 Wait for command to complete before 
               
               
                   
                 Completion 
                 continuing (Yes or No) 
               
               
                   
                 Liquid Detect 
                 Type of liquid level sensing, selected from Low 
               
               
                   
                 Sensitivity 
                 or High, which cause robot to detect liquid 
               
               
                   
                   
                 surface before aspirating, or None 
               
               
                   
                 Submerge 
                 Distance to submerge tip when liquid detection 
               
               
                   
                 Distance 
                 in use 
               
               
                   
                 Liquid Detect 
                 System response when liquid detection fails, 
               
               
                   
                 Failure 
                 selected from Prompt User or Remain at Z Max 
               
               
                   
                 Recovery 
               
               
                   
                 Aspirate Mode 
                 Type of liquid being aspirated, selected from 
               
               
                   
                   
                 Reagent, Air Gap or Overshoot 
               
               
                   
                 Volume Type 
                 Constant or Variable 
               
               
                   
                 Volume 
                 Volume to aspirate or variable name 
               
               
                   
                 Update 
                 If Yes, variable containing aspirate volume 
               
               
                   
                 Volume 
                 updated to reflect actual volume of liquid 
               
               
                   
                   
                 aspirated 
               
               
                 Container 
                 Author 
                 User-defined text comment 
               
               
                   
                 Date 
                 User-defined text comment 
               
               
                   
                 Comments 
                 User-defined text comment 
               
               
                 Define 
                 Initial Value 
                 Initial numeric value for the variable 
               
               
                 Variable 
                 Prompt User 
                 If Yes, user is prompted to supply value; if No, 
               
               
                   
                 for Value 
                 variable initialized with Initial Value 
               
               
                   
                 Prompt Text 
                 Text displayed when prompting user for initial 
               
               
                   
                   
                 value 
               
               
                 Dispense 
                 Arm 
                 Arm containing the desired syringe, selected 
               
               
                   
                   
                 from arms defined for system 
               
               
                   
                 Syringe 
                 Syringe with which to dispense, selected from 
               
               
                   
                   
                 syringes defined for specified arm 
               
               
                   
                 Wait for 
                 Wait for command to complete before 
               
               
                   
                 Completion 
                 continuing (Yes or No) 
               
               
                   
                 Liquid Detect 
                 Type of liquid level sensing, selected from Low 
               
               
                   
                 Sensitivity 
                 or High, which cause robot to detect liquid 
               
               
                   
                   
                 surface before dispensing, or None 
               
               
                   
                 Submerge 
                 Distance to submerge tip when liquid detection 
               
               
                   
                 Distance 
                 in use 
               
               
                   
                 Liquid Detect 
                 System response when liquid detection fails, 
               
               
                   
                 Failure 
                 selected from Prompt User or Remain at Z Max 
               
               
                   
                 Recovery 
               
               
                   
                 Dispense 
                 Type of liquid being dispensed, selected from 
               
               
                   
                 Mode 
                 Reagent or Solvent 
               
               
                   
                 Volume Type 
                 Constant or Variable 
               
               
                   
                 Volume 
                 Volume to dispense or variable name 
               
               
                   
                 Update 
                 If Yes, variable containing dispense volume 
               
               
                   
                 Volume 
                 updated to reflect actual volume of liquid 
               
               
                   
                   
                 dispensed 
               
               
                 Fill Syringe 
                 Arm 
                 Arm containing the desired syringe, selected 
               
               
                   
                   
                 from arms defined for system 
               
               
                   
                 Syringe 
                 Syringe to be filled, selected from syringes 
               
               
                   
                   
                 defined for specified arm 
               
               
                   
                 Wait for 
                 Wait for command to complete before 
               
               
                   
                 Completion 
                 continuing (Yes or No) 
               
               
                   
                 Volume Type 
                 Constant or Variable 
               
               
                   
                 Volume 
                 Fill volume or variable name 
               
               
                   
                 Update 
                 If Yes, variable containing fill volume updated 
               
               
                   
                 Volume 
                 to reflect actual volume of liquid drawn from 
               
               
                   
                   
                 reservoir 
               
               
                 For Loop 
                 Loop Type 
                 Mapping, Dispense or Numeric. If Mapping, 
               
               
                   
                   
                 object iterates through mappings loaded on 
               
               
                   
                   
                 system; ifDispense, object iterates through each 
               
               
                   
                   
                 dispense within current mapping; ifNumeric, 
               
               
                   
                   
                 object iterates through specified integer range. 
               
               
                   
                 Mappings to 
                 All or selected (Tagged) mappings included in 
               
               
                   
                 Include 
                 iteration 
               
               
                   
                 Mapping Tag 
                 Specifies tag to match when iterating through 
               
               
                   
                   
                 mappings; only mappings with specified tag 
               
               
                   
                   
                 included in loop 
               
               
                   
                 Lookahead 
                 Constant or Variable 
               
               
                   
                 Interval Type 
               
               
                   
                 Lookahead 
                 Number of wells to consider when calculating 
               
               
                   
                 Interval 
                 mapping aspirate amount or variable name 
               
               
                   
                 Loop Variable 
                 Name of variable containing numeric loop&#39;s 
               
               
                   
                   
                 current value 
               
               
                   
                 Initial Value 
                 Constant or Variable 
               
               
                   
                 Type 
               
               
                   
                 Initial Value 
                 Initial Value or variable name 
               
               
                   
                 Final Value 
                 Constant or Variable 
               
               
                   
                 Type 
               
               
                   
                 Final Value 
                 Final Value or variable name 
               
               
                 Get 
                 Controller 
                 Temperature controller to use, selected from 
               
               
                 Temperature 
                   
                 controllers.defined for system 
               
               
                   
                 Channel Type 
                 Constant or Variable 
               
               
                   
                 Channel 
                 Channel number or variable name 
               
               
                   
                 Temperature 
                 Name of variable into which retrieved 
               
               
                   
                 Variable 
                 temperature value should be put 
               
               
                 Get Timer 
                 Timer ID 
                 ID of timer to be queried 
               
               
                   
                 Timer 
                 Name of variable into which retrieved timer 
               
               
                   
                 Variable 
                 value should be put 
               
               
                   
                 Desired Value 
                 If Elapsed Time, Timer Variable is updated with 
               
               
                   
                   
                 number of seconds elapsed since specified timer 
               
               
                   
                   
                 was set; ifRemaining Time, Timer Variable is 
               
               
                   
                   
                 updated with number of seconds remaining 
               
               
                   
                   
                 before timer expires 
               
               
                 If 
                 Condition 
                 Condition used for comparison, selected from 
               
               
                   
                   
                 logical conditions (A &lt; B, A &lt;= B, A = B, A &gt;= 
               
               
                   
                   
                 B, A &gt; B, A != B, A MOD B), syringe 
               
               
                   
                   
                 conditions (Syringe Empty (Reagent), Syringe 
               
               
                   
                   
                 Empty (Solvent)), or mapping conditions 
               
               
                   
                   
                 (Mapping Tag, Not Mapping Tag) 
               
               
                   
                 “A” 
                 Name of variable containing “A” value 
               
               
                   
                 “B” Data Type 
                 “B” value specified by Constant or Variable. 
               
               
                   
                 “B” 
                 “B” Value or variable name 
               
               
                   
                 Arm 
                 Arm containing the desired syringe, selected 
               
               
                   
                   
                 from arms defined for system 
               
               
                   
                 Syringe 
                 Syringe to be queried, selected from syringes 
               
               
                   
                   
                 defined for specified arm 
               
               
                   
                 Mapping Tag 
                 String to compare with current mapping&#39;s tag. 
               
               
                 Initialize Arm 
                 Arm 
                 Arm to initialize, selected from arms defined for 
               
               
                   
                   
                 system 
               
               
                   
                 Initialize 
                 If Arm &amp; Syringes, arm and all associated 
               
               
                   
                   
                 syringes are initialized; if Arm Only, only arm is 
               
               
                   
                   
                 initialized. 
               
               
                 Load Recipe 
                 Prompt User 
                 If Yes, user prompted to select recipe; if No, 
               
               
                   
                 For Filename 
                 recipe specified by Filename is loaded. 
               
               
                   
                 Prompt Text 
                 Text displayed when prompting user for 
               
               
                   
                   
                 filename 
               
               
                   
                 Filename 
                 Path of recipe file to load 
               
               
                 Move Arm 
                 Arm 
                 Arm to move, selected from arms defined for 
               
               
                   
                   
                 system 
               
               
                   
                 Wait For 
                 Wait for command to complete before 
               
               
                   
                 Completion 
                 continuing (Yes or No) 
               
               
                   
                 Destination 
                 Mapping Source, Mapping Destination, 
               
               
                   
                   
                 Substrate, Absolute Position or Relative Position 
               
               
                   
                   
                 to which arm is to move 
               
               
                   
                 Z Position 
                 Z position to move to when destination is a 
               
               
                   
                   
                 substrate well 
               
               
                   
                 Substrate 
                 Destination substrate, selected from list of 
               
               
                   
                   
                 substrates defined for system 
               
               
                   
                 Position 
                 Position of destination substrate on work 
               
               
                   
                   
                 surface, selected from list of positions defined 
               
               
                   
                   
                 for selected substrate 
               
               
                   
                 Well Specifier 
                 Row and column numbers or well number of 
               
               
                   
                   
                 substrate well 
               
               
                   
                 Row Type 
                 Constant or Variable 
               
               
                   
                 Row 
                 Destination well&#39;s row number or variable name 
               
               
                   
                 Column Type 
                 Constant or Variable 
               
               
                   
                 Column 
                 Destination well&#39;s column number or variable 
               
               
                   
                   
                 name 
               
               
                   
                 Well Number 
                 Constant or Variable. 
               
               
                   
                 Type 
               
               
                   
                 Well Number 
                 Destination well&#39;s well number or variable name 
               
               
                   
                 Absolute X, Y 
                 X, Y and Z coordinates of the destination 
               
               
                   
                 &amp; Z 
                 position 
               
               
                   
                 Relative X, Y 
                 Relative amounts to move arm in X, Y and Z 
               
               
                   
                 &amp; Z 
               
               
                 Pause 
                 Prompt Text 
                 Text displayed in pause dialog 
               
               
                 Purge Syringe 
                 Arm 
                 Arm containing desired syringe, selected from 
               
               
                   
                   
                 arms defined for system 
               
               
                   
                 Syringe 
                 Syringe to purge, selected from syringes defined 
               
               
                   
                   
                 for specified arm 
               
               
                   
                 Wait for 
                 Wait for command to complete before 
               
               
                   
                 Completion 
                 continuing (Yes or No) 
               
               
                 Sample Map 
                 Prompt Text 
                 Text displayed in dialog box 
               
               
                   
                 Well Status 
                 Defines variable to store status of each well in 
               
               
                   
                 Variable 
                 source substrate 
               
               
                   
                 Default 
                 Specifies default number of samples per well 
               
               
                   
                 Samples Per 
               
               
                   
                 Well 
               
               
                   
                 Default Source 
                 Source substrate displayed by default during 
               
               
                   
                 Substrate 
                 execution, selected from vials and plates defined 
               
               
                   
                   
                 for system 
               
               
                   
                 Default Source 
                 Position of source substrate displayed by default 
               
               
                   
                 Position 
                 during execution, selected from positions 
               
               
                   
                   
                 defined for selected substrate 
               
               
                   
                 Injection Port 
                 Injection port substrate, selected from vials 
               
               
                   
                   
                 defined for system 
               
               
                   
                 Injection Port 
                 Position of injection port substrate on work 
               
               
                   
                 Position 
                 surface, selected from positions defined for 
               
               
                   
                   
                 selected substrate 
               
               
                 Send NI-DAQ 
                 Command 
                 NI-DAQ command to send to National 
               
               
                 Command 
                   
                 Instruments data acquisition card, selected from 
               
               
                   
                   
                 available commands in National Instruments 
               
               
                   
                   
                 Data Acquisition library 
               
               
                   
                 Chassis 
                 SCXI chassis ID 
               
               
                   
                 Module 
                 Module slot number 
               
               
                   
                 Channel Type 
                 Constant or Variable 
               
               
                   
                 Channel 
                 Channel number or variable name 
               
               
                   
                 Channel Data 
                 Data to send to specified channel 
               
               
                 Send Resource 
                 Device 
                 Target resource, selected from resources defined 
               
               
                 Command 
                   
                 for system. 
               
               
                   
                 Address 
                 Address of the target device on the selected 
               
               
                   
                   
                 resource 
               
               
                   
                 Command 
                 Command text to send to specified device 
               
               
                 Send Serial 
                 Port 
                 Communications port resource to use, selected 
               
               
                 Command 
                   
                 from communications ports defined for system 
               
               
                   
                 Command 
                 Command text to send out selected port 
               
               
                   
                 Termination 
                 Characters to append to command string 
               
               
                 Set Arm 
                 Arm 
                 Arm to set, selected from arms defined for 
               
               
                 Speeds 
                   
                 system 
               
               
                   
                 Wait for 
                 Wait for command to complete before 
               
               
                   
                 Completion 
                 continuing (Yes or No) 
               
               
                   
                 X, Y and Z 
                 Initial speed specified arm will have during any 
               
               
                   
                 Axis Start 
                 motion 
               
               
                   
                 Speed 
               
               
                   
                 X, Y and Z 
                 Top speed specified arm will attain during any 
               
               
                   
                 End Speed 
                 motion 
               
               
                   
                 X, Y and Z 
                 Acceleration specified arm will have during any 
               
               
                   
                 Axis 
                 motion 
               
               
                   
                 Acceleration 
               
               
                 Set Arm Z 
                 Arm 
                 Arm to set, selected from arms defined for 
               
               
                 Heights 
                   
                 system 
               
               
                   
                 Wait for 
                 Wait for command to complete before 
               
               
                   
                 Completion 
                 continuing (Yes or No) 
               
               
                   
                 Z Max 
                 Lowest position specified arm will travel when 
               
               
                   
                   
                 searching for liquid 
               
               
                   
                 Z Start 
                 Z position from which liquid detection will start 
               
               
                   
                 Z Dispense 
                 Z position from which liquid will be dispensed 
               
               
                   
                 Z Travel 
                 Z position to use when moving in X and Y 
               
               
                 Set Syringe 
                 Arm 
                 Arm containing desired syringe, selected from 
               
               
                 Limits 
                   
                 arms defined for system 
               
               
                   
                 Syringe 
                 Syringe to configure, selected from syringes 
               
               
                   
                   
                 defined for specified arm 
               
               
                   
                 Max Aspirate 
                 Maximum amount of liquid selected syringe will 
               
               
                   
                 Volume 
                 aspirate 
               
               
                   
                 Min Dispense 
                 Minimum amount of liquid selected syringe will 
               
               
                   
                 Volume 
                 dispense 
               
               
                 Set Syringe 
                 Arm 
                 Arm containing desired syringe, selected from 
               
               
                 Speeds 
                   
                 arms defined for system 
               
               
                   
                 Syringe 
                 Syringe to configure, selected from syringes 
               
               
                   
                   
                 defined for specified arm 
               
               
                   
                 Wait for 
                 Wait for command to complete before 
               
               
                   
                 Completion 
                 continuing (Yes or No) 
               
               
                   
                 Start Speed 
                 Initial speed specified syringe will have during 
               
               
                   
                   
                 any motion 
               
               
                   
                 Top Speed 
                 Top speed specified syringe will attain during 
               
               
                   
                   
                 any motion 
               
               
                   
                 Cutoff Speed 
                 Speed specified syringe will have when motion 
               
               
                   
                   
                 is stopped 
               
               
                   
                 Slope 
                 Specifies how quickly syringe will ramp up 
               
               
                   
                   
                 from initial speed to top speed and down from 
               
               
                   
                   
                 top speed to cutoff speed 
               
               
                   
                 Frequency 
                 Frequency at which dispenser solenoid opened 
               
               
                   
                   
                 and closed during aspiration and dispensing 
               
               
                   
                 Duty Cycle 
                 Percentage of time dispenser solenoid will be 
               
               
                   
                   
                 open during each open/close cycle. 
               
               
                 Set 
                 Controller 
                 Temperature controller to use, selected from 
               
               
                 Temperature 
                   
                 controllers defined for system 
               
               
                   
                 Channel Type 
                 Constant or Variable 
               
               
                   
                 Channel 
                 Channel number or variable name 
               
               
                   
                 Set Point Type 
                 Constant or Variable 
               
               
                   
                 Set Point 
                 Temperature set point in degrees or variable 
               
               
                   
                   
                 name 
               
               
                 Set Timer 
                 Timer ID 
                 Unique number to associate with time, used 
               
               
                   
                   
                 when querying or waiting on timer 
               
               
                   
                 Duration Type 
                 Constant or Variable. 
               
               
                   
                 Duration 
                 Timer&#39;s duration or variable name 
               
               
                 Simple Math 
                 Function 
                 Desired mathematical function, selected from 
               
               
                   
                   
                 addition, subtraction, multiplication, division, 
               
               
                   
                   
                 increment and decrement 
               
               
                   
                 “A” 
                 Name variable “A” to be updated with the result 
               
               
                   
                   
                 of the function 
               
               
                   
                 “B” Data Type 
                 Constant or Variable. 
               
               
                   
                 “B” 
                 “B” value or variable name 
               
               
                   
                 “C” Data Type 
                 Constant or Variable. 
               
               
                   
                 “C” 
                 “C” value or variable name 
               
               
                 Status 
                 Message Type 
                 Text or Variable Value 
               
               
                 Message 
                 Message Text 
                 Text to post to event log 
               
               
                   
                 Variable 
                 Variable to post to event log 
               
               
                 Tag Mappings 
                 Prompt Text 
                 Text to display when prompting user to select 
               
               
                   
                   
                 mappings 
               
               
                   
                 Mapping Tag 
                 String identifier to associate with selected 
               
               
                   
                   
                 mappings 
               
               
                   
                 Hide Tagged 
                 If Yes, user will see only mappings not yet 
               
               
                   
                 Mappings 
                 tagged; if No, user will see all mappings loaded 
               
               
                   
                   
                 from recipes 
               
               
                 Wait for Arm 
                 Arm 
                 Arm on which to wait, selected from arms 
               
               
                   
                   
                 defined for system 
               
               
                 Wait for 
                 Arm 
                 Arm containing desired syringe, selected from 
               
               
                 Syringe 
                   
                 arms defined for system 
               
               
                   
                 Syringe 
                 Syringe on which to wait, selected from syringes 
               
               
                   
                   
                 defined for specified arm 
               
               
                 Wait for 
                 Controller 
                 Temperature controller to use, selected from 
               
               
                 Temperature 
                   
                 controllers defined for system 
               
               
                   
                 Channel Type 
                 Constant or Variable 
               
               
                   
                 Channel 
                 Channel number of controller on which to wait 
               
               
                   
                   
                 or variable name 
               
               
                 Wait for Timer 
                 Timer ID 
                 ID of timer on which to wait 
               
               
                 While Loop 
                 Condition 
                 Condition used for comparison, selected from 
               
               
                   
                   
                 logical conditions (A &lt; B, A &lt;= B, A = B, A &gt;= 
               
               
                   
                   
                 B, A &gt; B, A != B, A MOD B), syringe 
               
               
                   
                   
                 conditions (Syringe Empty (Reagent), Syringe 
               
               
                   
                   
                 Empty (Solvent)), or mapping conditions 
               
               
                   
                   
                 (Mapping Tag, Not Mapping Tag) 
               
               
                   
                 “A” 
                 Name of variable containing “A” value 
               
               
                   
                 “B” Data Type 
                 “B” value specified by Constant or Variable. 
               
               
                   
                 “B” 
                 “B” Value or variable name 
               
               
                   
                 Arm 
                 Arm containing the desired syringe, selected 
               
               
                   
                   
                 from arms defined for system 
               
               
                   
                 Syringe 
                 Syringe to be queried, selected from syringes 
               
               
                   
                   
                 defined for specified arm 
               
               
                   
                 Mapping Tag 
                 String to compare with current mapping&#39;s tag. 
               
               
                   
               
             
          
         
       
     
     The user defines the properties associated with the chosen code object (step  520 ). If additional code objects are required to complete the procedure (the YES branch of step  530 ), the user selects the next desired code object (step  510 ) and repeats the process. When the last code object has been selected and defined (the NO branch of step  530 ), the procedure is complete. At this point, or at any time during creation of the procedure, the user can validate the code to verify the consistency of the procedure, or any selected code object and its descendants (step  540 ). Object editor  170  stores the procedure in memory  150  and/or provides the procedure to control module  140  for execution by apparatus  180  (step  550 ). 
     A sample procedure generated according to the steps discussed above is illustrated in FIG.  4 . Procedure object  405 , which the user has named “Simple Mapping w/ Left Arm”, includes tree  403  of code objects 430-451. Each code object in tree  403  is represented by an icon, for example icon  460 , which corresponds to the object type, and by a name, which can be a default name based on the object type or a name chosen by the user. Procedure  405  includes a series of code objects that, when executed, cause control module  140  to instruct apparatus  180  to carry out a simple mapping procedure with the left arm of a synthesis robot. Control module  140  executes procedure  405  as follows. 
     “Initialize Arm” object  430  initializes an arm of the robot, setting the arm and syringe speeds and the syringe maximum aspirate and minimum dispense volumes to default values. “Load Recipe” object  431  loads component, mapping and parameter information from a specified recipe file. As described above, a suitable recipe file contains component information identifying the source and destination components to used during execution of the procedure, as well as mapping information specifying amounts to be transferred from each source component to one or more destination components. The recipe file can also contain parameter information, in the form of values or sets of values associated with components identified in the recipe file. 
     Execution of “Load Recipe” object  431  causes control module  140  to prompt the user for the name of a recipe file to load. Optionally, a specific recipe file can be identified as a property of “Load Recipe” object  431 . Control module  140  loads the specified recipe file and causes user interface  160  to display tables of component and mapping information. Control module  140  prompts the user to identify and provide a position on the work surface for each substrate component defined in step  320 , discussed above. A given substrate can be used as a source (e.g., a location from which a reagent is transferred), a destination (a location to which a reagent is transferred), or both (e.g., a location in which two or more reagents are mixed and the mixture transferred to another location) during execution of a procedure. Any parameter data in the recipe file is associated with the specified substrate objects, and is made available to subsequent code objects in procedure  405 . Thus, for example, if the recipe file loaded by object  431  contained “Temperature” parameter information including a value for each well in a specified destination plate, those values would be available to subsequent code objects invoking a predefined “Temperature” variable defined using a “Define Variable” object as set out in Table 1 and discussed in more detail below. A set of “Temperature” parameters can be advantageously invoked by “Set Temperature”, “Get Temperature” and “Wait for Temperature” objects as set out in Table 1. 
     “For Each Mapping” object  432  is a container object—specifically a For Loop object—that executes its set of child objects for a specified number of iterations. In this case, object  432  is a “mapping loop” that iterates over each mapping in the recipe file loaded by “Load Recipe” object  431 . Object  432  causes control module  140  to define a “Total Mappings” variable that contains the total number of mappings loaded from the recipe file, and a “Mapping Number” variable that is set to the index of the current mapping and ranges from one to the value of Total Mappings. Both of these variables are available to all child objects of loop object  432 . The child objects of loop  432  are objects 433-450, which are executed by control module  140  for each loaded mapping. 
     “For Each Dispense” object  433  is another For Loop object, this time iterating through each dispense specified in the current mapping (corresponding to the mapping identified by the Mapping Number variable discussed above). Object  433  causes control module  140  to define eight system variables available to all child objects of loop object  433 . These include a “Total Dispenses” variable containing the number of dispenses for the current mapping and a “Dispense Number” variable containing the index of the current dispense and ranging from one to the value of “Total Dispenses”. These variables also include a “Mapping Aspirate Volume” variable containing the volume to aspirate (or retrieve from a source component), based on the mapping destination well (or on multiple wells based on a predetermined “look ahead interval” specifying a set number of wells to be considered when calculating the amount to aspirate) and a “Mapping Dispense Volume” variable containing the volume to dispense for the current mapping destination; for each dispense, both of these variables are initialized to preset values for the dispense and are updated as the dispense progresses. Finally, object  433  also causes control module  140  to define “Source Row” and “Source Column” variables indicating the row and column of the current source well and “Destination Row” and “Destination Column” variables indicating the row and column of the current destination well. The child objects for loop object  433  are objects  434 - 441 , which are repeated in sequence for each dispense in each loaded mapping. 
     “While Liquid to Dispense” object  434  is another type of container object—a While Loop object—that causes all child objects to be executed repeatedly as long as a specified condition is true. In this case, object  434  causes control module  140  to determine whether the value of the Mapping Dispense Volume variable is greater than zero, indicating that the dispense still calls for liquid to be dispensed. For as long as this expression evaluates to true, control module  140  executes child objects  435 - 441 . When the expression evaluates to false (i.e., no volume remains to be dispensed), the current dispense is complete and control module  140  proceeds to the next iteration of “For Each Dispense” loop  433 . “While” object  434  can implement any convenient logical expression, such as arithmetic expressions comparing one value with another value. While Loop object  434  can also implement “syringe conditions” that evaluate whether a given syringe needs to be refilled, or “mapping tag” conditions that evaluate whether the current mapping has been identified for particular action by the user. 
     “Fill Syringe” object  435  is still another container object—an If object—that causes control module  140  to execute its child objects if a specified condition is true. In this case, object  435  causes control module  140  to determine whether the specified syringe must be refilled (i.e., when a “syringe empty” condition evaluates to “true”). Here, when the syringe is empty, object  435  causes control module  140  to execute “Move to Source” object  436 , a Move Arm object that instructs apparatus  180  to move the syringe to the location of the specified source component, and Aspirate object  437 , which instructs the syringe to aspirate from that source component an amount determined by the “Mapping Aspirate Volume” variable defined for the current dispense. 
     When the syringe is not empty, “Move to Destination” object  438  (another Move Arm object) causes apparatus  180  to move the loaded syringe to the location of the specified destination component. “Dispense” object  439  causes apparatus  180  to dispense into the specified destination well an amount determined by the Mapping Dispense Volume variable defined for the current dispense. “Set Timer” and “Wait For Timer” objects  440  and  441  cause control module  140  to pause for a preset (or variable) period of time before proceeding to the next dispense iteration. 
     After completing all dispenses for the current mapping (and after each successive mapping), control module  140  executes Container object  442 , named “Standard Wash—Left 500 ul”. “Move To Waste” object  443 , another Move Arm object, causes apparatus  180  to move the syringe to the location of a “waste” destination. “Purge Syringe” object  444  causes apparatus  180  to empty all contents of the specified syringe into the waste destination. “Dispense” object  445  causes apparatus  180  to refill the specified syringe with a specified volume from a reservoir (typically filled with a solvent such as, for example, water) and dispense the specified volume. Control module  140  causes apparatus  180  to move the specified syringe to a cleaning station (“Move To Clean 1” object  446 ), where the syringe is again filled with solvent, which is dispensed (Dispense object  447 ). “Move To Clean 2” object  448  causes apparatus  180  to move the specified syringe to a second cleaning station, for a final wash (“Dispense” object  449 ). “Move Home” object  450  causes apparatus  180  to move the specified arm back to a home position, from which the next mapping iteration begins. When all mappings have been processed, “Park” object  451  (a final Move Arm object) causes apparatus  180  to return the arm to its home position. Exemplary source code for the “Procedure”, “For Loop”, “Load Recipe” and “Aspirate” code blocks is provided in microfiche Appendix A 
     FIG. 6 shows a user interface window  600 . The user instructs control module  140  to execute a completed procedure, for example by activating “Execute” button  620  in status pane  610  of window  600 , which causes user interface  160  to display a list of available procedures in computer  110 . Status pane  610  includes a line item  630  indicating that control module  140  is executing a procedure. While a procedure executes, user interface  160  displays status messages in event log  640 . The user can pause or abort a procedure during execution by selecting the appropriate line item and activating button  650  or  660 , respectively. 
     Depending on the user&#39;s preference, event log  640  can provide a record of high level events, or it can provide a detailed record of each step in a procedure. Event log  640  also displays any errors occurring during execution. When an error occurs, control module  140  pauses the executing procedure and posts the error to event log  640 . While the procedure is paused, the user can execute other procedures in order to correct the error. For example, if the error resulted from a mistrained substrate position, the user can attempt to retrain the position. The user can also modify the paused procedure itself using object editor  170 . When the error has been corrected, the user instructs control module  140  to resume execution of the original procedure by again activating “pause” button  650 . Control module  140  reattempts the failed command, and, if it completes successfully, continues execution of the procedure. 
     Using the techniques described above, the user can customize procedures for a wide variety of automated processes. One such procedure  700 , named “Tagged Mappings”, is illustrated in FIG.  7 . “Load Recipe” object  705  retrieves a recipe file from memory as discussed above in reference to procedure  405 . Instead of simply iterating through each mapping in the recipe file, as described in reference to that procedure, however, procedure  700  allows the user to specify different treatment for specific mappings or groups of mappings. Tag Mapping objects  710 - 716  cause control module  140  to prompt the user to select one or more mappings for “tagging”. For example, “Tag Type 1 Mappings” object  710  prompts the user to identify mappings in the loaded recipe file to be labeled or “tagged” as “Type 1” mappings in subsequent processing steps. Alternatively, mapping tags can be specified in the recipe file loaded by “Load Recipe” object  705 . The tag for each Tag Mapping object is specified during creation of the procedure, and can be any combination of characters desired by the procedure&#39;s creator. Thus, tags can be selected to identify mappings as corresponding to particular types of materials or chemistries, such as, for example,—e.g., solvents, reagents, monomers, initiators, catalysts, surfactants and the like. 
     After the robot arms are initialized by objects  720  and  725 , procedure  700  carries out the mapping processes specified by “For Each Mapping” object  730 . Instead of simply repeating the same processing steps for each mapping in the recipe file, as described for procedure  405  (“For Each Mapping” object  432 ) above, procedure  700  includes a series of If objects  740 - 746 , which correspond to the mapping tags defined by objects  710 - 716 . As shown for “If Type 1” object  740 , each If object  740 - 746  contains a series of child objects implementing a set of process steps for each mapping identified by the corresponding tag. Thus, “If Type 1” object  740  and its child objects 750-760 define a series of processing steps for recipe file mappings the user has identified with the “Type 1” tag. “Wash Interval” object  750  and “Air Gap Flag” object  751  are Define Variable objects that cause control module  140  to define a pair of variables that will be available to subsequent code objects in If object  740 . “For Each Dispense” object  752  is a For Loop object that iterates through its child objects  753 - 758  for each dispense of each “Type 1” mapping. “While Liquid to Dispense” object  753  is a While Loop object that iterates through its child objects  754 - 757  for as long as liquid remains to be dispensed in the current dispense cycle. “Fill Syringe” object  754  is an If object that carries out a series of steps causing the syringe to refill when it becomes empty (using the “Air Gap Flag” variable defined by object  751  to identify when an air gap should be aspirated during the syringe-filling process). “Move to Destination” object  755  causes apparatus  180  to move the specified hardware device to the next destination location, and “Dispense” object  757  causes apparatus  180  to deposit a specified amount of liquid at that location at a speed set by “Set Syringe Speeds” object  756 . When the dispense is complete, “For Each Dispense” object  752  causes control module  140  to iterate to the next dispense in the “Type 1” mapping, causing apparatus  180  to wash the syringe tip according to “Wash On Interval” object  758  (and its child objects) at intervals defined by the “Wash Interval” variable defined by object  750 . When all dispenses in the “Type 1” mapping have been processed, control module  140  instructs apparatus  180  to wash the syringe tip according to a process defined by “Wash Left Arm” object  759  and its child objects, and to move the arm to a final position (“Park” object  760 ). 
     In a similar fashion, If objects  741 - 746  each contain a series of child objects setting out processing steps for implementing dispenses associated with each of the remaining groups of tagged mappings in the recipe file. When each tagged mapping has been processed according to the appropriate If object and its child objects, the library synthesis is complete. 
     Depending on the resources, system devices and substrates defined for system  100 , the user can create procedures to carry out processes other than library synthesis, such as, for example, screening or characterizing members of a combinatorial library. One such procedure is illustrated in FIG.  8 . To implement such processes, system  100  need not obtain library design information from a recipe file. Instead, to define a screening process the user creates a procedure  800  as described above but incorporating “Sample Map” object  810  in place of the “Load Recipe” object discussed above. When executed by control module  140 , “Sample Map” object  810  creates one or more mappings to define the library members to be sampled for screening. Control module  140  prompts the user to identify one or more source components for sampling, for example by specifying the identity and location of a multi-well plate defined for system  100 . The user specifies a number of samples to be drawn from each well in the designated substrate, for example by entering integer values into a spreadsheet representing a source substrate array. The value of the integer entered into the spreadsheet determines the number of dispenses for the corresponding well. The user defines a destination substrate and position for the mapping, for example an injection port of an analytical device such as a liquid, gas or gel permeation chromatograph. 
     The user completes procedure  800  as described above, for example by defining a “Mapping Loop” object  820 , which causes module  140  to iterate through the mappings defined by “Sample Map” object  810 . For each dispense in each mapping, procedure  800  causes module  140  to instruct apparatus  180  to dilute and mix the contents of the specified well (If object  830  and child objects  831 - 838 ), wash the syringe tip (“Wash” object  840 ) and wait for a specified interval (“Wait for Timer 1” object  845 ). 
     “Inject Sample” object  850  contains a series of child objects  851 - 861  that define the injection process. “Go to source” object  851  causes apparatus  180   140  to move the syringe to the specified source location (e.g., a specified well in a substrate array). “Aspirate” object  852  causes apparatus  180  to draw a sample from the source location. “Go above injector” object  853  causes apparatus  180  to move the syringe to a location above an injection port of the analytical device. “Go into injector” object  855  causes apparatus  180  to move the syringe into the injection port at a speed set by “Set Arm Speeds” object  854  (which is then reset by object  856 ). “Dispense” object  857  causes module  140  to instruct apparatus  180  to inject the sample into the injection port. After waiting for a preset interval (as specified by “Wait for Timer 2” object  858 ), “Begin analysis” object  859  causes control module  140  to send a command to the analytical device to begin the analysis. Set Timer objects  860  and  861  then reinitialize Timers 1 and 2 for the next sample. After washing the syringe tip (“Wash” object  862 ), procedure  800  proceeds to the next well (i.e., the next dispense). Control module  140  repeats the procedure until a sample has been drawn from each specified source location and injected into the analytical device. 
     Control module  140  can execute multiple procedures simultaneously. For example, using an automated synthesis robot with two arms, control module  140  can execute a different procedure with each robot arm. However, errors can occur if the procedures attempt to control the same hardware—such as the same arm or syringe. Likewise, any attempt to run simultaneous procedures requiring access to common areas of the work surface can lead to errors unless timer objects are included to synchronize arm movements to avoid collisions. 
     The invention can be implemented in digital electronic circuitry, or in computer hardware, firmware, software, or in combinations of them. Apparatus of the invention can be implemented in a computer program product tangibly embodied in a machine-readable storage device for execution by a programmable processor; and method steps of the invention can be performed by a programmable processor executing a program of instructions to perform functions of the invention by operating on input data and generating output. The invention can be implemented advantageously in one or more computer programs that are executable on a programmable system including at least one programmable processor coupled to receive data and instructions from, and to transmit data and instructions to, a data storage system, at least one input device, and at least one output device. Each computer program can be implemented in a high-level procedural or object-oriented programming language, or in assembly or machine language if desired; and in any case, the language can be a compiled or interpreted language. Suitable processors include, by way of example, both general and special purpose microprocessors. Generally, a processor will receive instructions and data from a read-only memory and/or a random access memory. Storage devices suitable for tangibly embodying computer program instructions and data include all forms of non-volatile memory, including by way of example semiconductor memory devices, such as EPROM, EEPROM, and flash memory devices; magnetic disks such as internal hard disks and removable disks; magneto-optical disks; and CD-ROM disks. Data can also be temporarily stored in volatile memory. Any of the foregoing can be supplemented by, or incorporated in, ASICs (application-specific integrated circuits). 
     To provide for interaction with a user, the invention can be implemented on a computer system having a display device such as a monitor or LCD screen for displaying information to the user and a keyboard and a pointing device such as a mouse or a trackball by which the user can provide input to the computer system. The computer system can be programmed to provide a graphical user interface through which computer programs interact with users. 
     The invention has been described in terms of particular embodiments. Other embodiments are within the scope of the following claims. For example, the steps of the invention can be performed in a different order and still achieve desirable results. While the invention has been described in the context of a liquid handling system and procedure, the invention is equally applicable to other synthesis systems and techniques, such as vapor deposition systems as discussed above. Likewise, while the invention has been described in the context of specific hardware resources, system devices, substrates and code objects, additional data objects can be defined for other types of hardware resources, devices, substrates and process steps.

Technology Classification (CPC): 1