page_title: LiSiCA
section_title: Feature overview
hierarchical_section_title: LiSiCA / Feature overview
caption_attribution_description: English: This is an example of an output of the LiSiCA software on 3D molecules.
context_page_description: LiSiCA is a ligand-based virtual screening software that searches for 2D and 3D similarities between a reference compound and a database of target compounds which should be represented in a Mol2 format. The similarities are expressed using the Tanimoto coefficients and the target compounds are ranked accordingly. LiSiCA is also available as LiSiCA PyMOL plugin both on Linux and Windows operating systems.
context_section_description: LiSiCA can search 2D and 3D similarities between a reference compound and a database of target compounds. It takes as an input at least one reference compound and a database of target compounds. By default it returns only the compound most similar to the reference compound out of all compounds in database of target compounds.
  Other optional parameters LiSiCA uses are:
  Number of CPU threads to use
  Default value: the default is to try to detect the number of CPUs and use all of them or, failing that, use 1
  Product graph dimension
  Possible input: 2, 3
  Default value: 2
  Maximum allowed atom spatial distance difference for the 3D product graph measured in angstroms
  Default value: 1.0
  Maximum allowed shortest path difference for the 2D product graph measured in the number of covalent bonds between atoms
  Default value: 1
  Consider hydrogens
  Default value: False
  Number of highest ranked molecules to write to output
  Default value: 0
  Maximum allowed number of highest scoring conformations to be outputted
  Default value: 1
  In addition LiSiCA PyMOL plugin also offers to load saved results.
caption: An example of 3D screening with LiSiCA PyMOL plugin.
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