[ 源代码： pdb2pqr ]
软件包：pdb2pqr（3.6.1+dfsg-1）
pdb2pqr 的相关链接
Debian 的资源：
下载源码包 pdb2pqr：
维护小组：
- Debian Med Packaging Team (QA 页面, 邮件存档)
- Steffen Moeller (QA 页面)
- Manuel Prinz (QA 页面)
- Andreas Tille (QA 页面)
外部的资源：
- 主页 [www.poissonboltzmann.org]
相似软件包：
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
其他与 pdb2pqr 有关的软件包
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- dep: python3
- interactive high-level object-oriented language (default python3 version)
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- dep: python3-numpy
- Fast array facility to the Python language (Python 3)
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- dep: python3-pdb2pqr
- Preparation of protein structures for electrostatics calculations
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- sug: apbs
- Adaptive Poisson Boltzmann Solver