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Source: concavity
Maintainer: Debian Med Packaging Team <debian-med-packaging@lists.alioth.debian.org>
Uploaders: Laszlo Kajan <lkajan@rostlab.org>,
Andreas Tille <tille@debian.org>
Section: science
Priority: optional
Build-Depends: debhelper (>= 11~)
Standards-Version: 4.2.1
Vcs-Browser: https://salsa.debian.org/med-team/concavity
Vcs-Git: https://salsa.debian.org/med-team/concavity.git
Homepage: http://compbio.cs.princeton.edu/concavity/
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).
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