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