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[ ソース: plip  ]

パッケージ: plip (1.3.5+dfsg-1)

plip に関するリンク

plip

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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

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