Here are a few pythonscripts to help visualizing color-coded interaction fingerprints

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imageFPCreator.py
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imageFPCreator.py: is a script which outputs the raw fingerprints into a color-coded image.
It is usefull for comparing different fingerprints for the same cavity (e.g. multiple ligands, multiple poses).
A test (test.sh) is given with examples stored in the example directory. Please source the variables in the fist two lines to reflect your
local installation and run the program.

The syntax is the following:

imageFPCreator.py ./example/refcavite.pdb ./example/list ./example/listFP7 7

the first argument is the structure of the binding site (in PDB format)
the second argument is the list if poses(ligands) to read
the third argument is the list of fingerprints (same hierarchy as the list of ligands)
the fourth argument is the size of the fingerprint (7 or 11) 





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pymolFP
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pymolFP is a Pymol plugin loading interaction fingerprints into the Pymol graphics tool. Please, have a look at readme.pdf in the pymolFP directory




For more information, please contact

Dr. Didier ROGNAN
Biuoinformatocs of the Drug
CNRS UMR 7175-LC1
74 route du Rhin
F-67400 Illkirch

phone: +33.3.90 24 42 35
fax: +33.3.90 24 43 10
email: didier.rognan@pharma.u-strasbg.fr
URL: http://bioinfo-pharma.u-strasbg.fr

