Package: clophfit
ClopHfitThis package provides a command line interface for fitting pH titration or
binding assay data for macromolecules, such as fluorescence spectra. With this
tool, users can easily analyze their data and obtain accurate fitting results.Version: "0.10.5"InstallationYou can get the library directly fromPyPIusingpip:pip install clophfitAlternatively, you can usepipxto install it in
an isolated environment:pipx install clophfitTo enable auto completion for theclopcommand, follow these steps:Generate the completion script by running the following command:_CLOP_COMPLETE=bash_source clop > ~/.local/bin/clop-complete.bashSource the generated completion script to enable auto completion:source ~/.local/bin/clop-complete.bashUsageYou can check out the documentation onhttps://darosio.github.io/ClopHfitfor
up to date usage information and examples.CLIClopHfit provides several command line interface tools for fitting and
processing data.prtecanExtract and fit titrations from a list of Tecan files collected at various pH or
chloride concentrations:ppr -o prova2 --is-ph tecan list.pH --scheme ../scheme.txt --norm
    --dil additions.pH --Klim 6.8,8.4 --sel 7.6,20Use the --no-weight option to reproduce an older pr.tecan version.eq1Predict chloride dissociation constant K_d at a given pH:clop eq1 --helpprenspireParser for EnSpire (PerkinElmer) file:ppr -o folder enspire file.csvDestination folder (default: "./Meas-${version}") will contain for each Measurement:a table (csv) in wide tabular form e.g. <lambda, A01, ..., H12>;corresponding graphical (png) representation of spectra from all wells.By adding a note.csv file:ppr -o folder enspire file.csv note.csvdestination folder (default: "./Meas-${version}") will also contain:a pdf for each titration and label;a pdf for global (multiband) analysis pdfalong with global and all_SVD;a pdf for SVD analysis of all concatenated spectra.note_to_csvnote_to_csv -t 37.0 -l "B E F" -o 37 NTT-G03-Cl_note
note_to_csv -t 20.0 -l "A C D" -o 20 NTT-G03-Cl_note
cat 20 37 > G03_Cl_note.csvPythonClopHfit can be imported and used as a Python package. The following modules are
available:clophfit.prenspire - parser for EnSpire (PerkinElmer) files
clophfit.prtecan - perform fitting of pH titration or binding assay data
clophfit.binding - perform fitting of macromolecule binding assay dataTo use clophfit in your python:from clophfit import prenspire, prtecan, bindingFeaturesPlate Reader data Parser.Perform non-linear least square fitting.Extract and fit pH and chloride titrations of GFP libraries.For 2 labelblocks (e.g. 400, 485 nm) fit data separately and globally.Estimate uncertainty using bootstrap.Subtract buffer for each titration point.Report controls e.g. S202N, E2 and V224Q.Correct for dilution of titration additions.Plot data when fitting fails and save txt file anyway.LicenseWe use a shared copyright model that enables all contributors to maintain the
copyright on their contributions.All code is licensed under the terms of therevised BSD license.ContributingIf you are interested in contributing to the project, please read ourcontributinganddevelopment environmentguides, which outline the guidelines and conventions that we follow for
contributing code, documentation, and other resources.