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concavity

predictor of protein ligand binding sites from structure and conservation

Description

ConCavity predicts protein ligand binding sites by combining evolutionary sequence conservation and 3D structure.

ConCavity takes as input a PDB format protein structure and optionally files that characterize the evolutionary sequence conservation of the chains in the structure file.

The following result files are produced by default:
 * Residue ligand binding predictions for each chain (*.scores).
 * Residue ligand binding predictions in a PDB format file (residue
   scores placed in the temp. factor field, *_residue.pdb).
 * Pocket prediction locations in a DX format file (*.dx).
 * PyMOL script to visualize the predictions (*.pml).

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Homepage

http://compbio.cs.princeton.edu/concavity/


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876 other people were interested in this package here. The newest known version of this software is 0.1+dfsg.1-2 (Information last updated about 22 hours ago.)