[ 原始碼： plip ]
套件：plip（2.3.0+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
|
|
|
|
-
- dep: python3
- interactive high-level object-oriented language (default python3 version)
-
- dep: python3-lxml
- pythonic binding for the libxml2 and libxslt libraries
-
- dep: python3-numpy
- Fast array facility to the Python language (Python 3)
-
- dep: python3-openbabel
- Chemical toolbox library (Python bindings)
-
- rec: pymol
- Molecular Graphics System