Пакет: plip (2.3.0+dfsg-2)

[ Источник: plip  ]

fully automated protein-ligand interaction profiler

The Protein-Ligand Interaction Profiler (PLIP) is a tool to analyze and visualize protein-ligand interactions in PDB files.

Features include:

 * Detection of eight different types of noncovalent interactions
 * Automatic detection of relevant ligands in a PDB file
 * Direct download of PDB structures from wwPDB server if valid
   PDB ID is given
 * Processing of custom PDB files containing protein-ligand complexes
   (e.g. from docking)
 * No need for special preparation of a PDB file, works out of the box
 * Atom-level interaction reports in rST and XML formats for easy parsing
 * Generation of PyMOL session files (.pse) for each pairing, enabling easy
   preparation of images for publications and talks
 * Rendering of preview image for each ligand and its interactions
   with the protein

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• dep: python3

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• dep: python3-lxml

  pythonic binding for the libxml2 and libxslt libraries

• dep: python3-numpy

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• dep: python3-openbabel

  Chemical toolbox library (Python bindings)

• rec: pymol

  Molecular Graphics System

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