Source: concavity Maintainer: Debian Med Packaging Team Uploaders: Laszlo Kajan , Andreas Tille Section: science Priority: optional Build-Depends: debhelper-compat (= 13) Standards-Version: 4.5.1 Vcs-Browser: https://salsa.debian.org/med-team/concavity Vcs-Git: https://salsa.debian.org/med-team/concavity.git Homepage: https://compbio.cs.princeton.edu/concavity/ Rules-Requires-Root: no Package: concavity Architecture: any Depends: ${shlibs:Depends}, ${misc:Depends} Suggests: conservation-code, pymol Description: predictor of protein ligand binding sites from structure and conservation 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).