Пакет: pdb2pqr (2.1.1+dfsg-2)
Връзки за pdb2pqr
Ресурси за Trisquel:
Изтегляне на пакет-източник pdb2pqr.
Отговорник:
Original Maintainers:
- Debian Med (Пощенски архив)
- Steffen Moeller
- Manuel Prinz
- Andreas Tille
Външни препратки:
- Начална страница [pdb2pqr.poissonboltzmann.org]
Подобни пакети:
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.
Други пакети, свързани с pdb2pqr
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- dep: libc6 (>= 2.14) [amd64]
- GNU C Library: Shared libraries
също и виртуален пакет, предлаган от libc6-udeb
- dep: libc6 (>= 2.4) [i386]
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- dep: libgcc1 (>= 1:3.0)
- GCC support library
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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
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- dep: python2.7
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- sug: apbs
- Adaptive Poisson Boltzmann Solver
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- enh: autodocktools
- Пакетът не е наличен
Изтегляне на pdb2pqr
Архитектура | Големина на пакета | Големина след инсталиране | Файлове |
---|---|---|---|
amd64 | 366,1 кБ | 2812 кБ | [списък на файловете] |
i386 | 372,1 кБ | 2788 кБ | [списък на файловете] |