[ 原始碼： plip ]
套件：plip（1.4.3~b+dfsg-2）
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
其他與 plip 有關的套件
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- dep: python
- interactive high-level object-oriented language (Python2 version)
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- dep: python-future
- single-source support for Python 3 and 2 - Python 2.x
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- dep: python-lxml
- pythonic binding for the libxml2 and libxslt libraries
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- dep: python-numpy
- Numerical Python adds a fast array facility to the Python language
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- dep: python-openbabel
- Chemical toolbox library (python bindings)
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- sug: pymol
- Molecular Graphics System