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[ Paquet source : plip  ]

Paquet : plip (1.4.4~b+dfsg-1)

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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

Autres paquets associés à plip

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    interactive high-level object-oriented language (default python3 version)
  • dep: python3-future
    Clean single-source support for Python 3 and 2 - Python 3.x
  • dep: python3-lxml
    pythonic binding for the libxml2 and libxslt libraries
  • dep: python3-numpy
    Fast array facility to the Python 3 language
  • dep: python3-openbabel
    Chemical toolbox library (Python bindings)
  • sug: pymol
    Molecular Graphics System

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