[ Zdroj: pdb2pqr ]
Balík: pdb2pqr (3.6.1 dfsg-1)
Odkazy pre pdb2pqr
Zdroje Debian:
Stiahnuť zdrojový balík pdb2pqr:
Správcovia:
- Debian Med Packaging Team (Stránka QA, Konferencia)
- Steffen Moeller (Stránka QA)
- Manuel Prinz (Stránka QA)
- Andreas Tille (Stránka QA)
Externé zdroje:
- Domovská stránka [www.poissonboltzmann.org]
Podobné balíky:
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
Ostatné balíky súvisiace s balíkom pdb2pqr
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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
Stiahnuť pdb2pqr
| Architektúra | Veľkosť balíka | Nainštalovaná veľkosť | Súbory |
|---|---|---|---|
| all | 11.2 kB | 31.0 kB | [zoznam súborov] |