[ 原始碼： pdb2pqr ]
套件：pdb2pqr（2.1.1 dfsg-5）
pdb2pqr 的相關連結
Debian 的資源：
下載原始碼套件 pdb2pqr：
維護小組：
- Debian Med Packaging Team (QA 頁面, 郵件存檔)
- Steffen Moeller (QA 頁面)
- Manuel Prinz (QA 頁面)
- Andreas Tille (QA 頁面)
外部的資源：
- 主頁 [www.cgl.ucsf.edu]
相似套件：
Preparation of protein structures for electrostatics calculations
PDB2PQR is a Python software package that automates many of the common tasks of preparing structures for continuum electrostatics calculations. It thus provides a platform-independent utility for converting protein files in PDB format to PQR format. These tasks include:
* Adding a limited number of missing heavy atoms to biomolecular structures * Determining side-chain pKas * Placing missing hydrogens * Optimizing the protein for favorable hydrogen bonding * Assigning charge and radius parameters from a variety of force fields
This package also includes PropKa, a tool to modify the protonation state of protein structures in the Protein Data Bank (PDB) format to match a given pKa value. It can also be used to refine NMR structures, which often yield inaccurate pKa values for some residues.
其他與 pdb2pqr 有關的套件
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- dep: libc6 (>= 2.4)
- GNU C 函式庫：共用函式庫
同時作為一個虛擬套件由這些套件填實： libc6-udeb
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- dep: libgcc1 (>= 1:3.5)
- GCC 支援函式庫
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- dep: libpython2.7 (>= 2.7)
- Shared Python runtime library (version 2.7)
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- dep: libstdc 6 (>= 5.2)
- GNU Standard C Library v3
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- dep: python
- interactive high-level object-oriented language (Python2 version)
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- dep: python-networkx
- tool to create, manipulate and study complex networks
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- dep: python-numpy
- Numerical Python adds a fast array facility to the Python language
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- sug: apbs
- Adaptive Poisson Boltzmann Solver
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- enh: autodocktools
- 套件暫時不可用