[ Källkod: pdb2pqr ]
Paket: pdb2pqr (3.6.1+dfsg-1)
Länkar för pdb2pqr
Debianresurser:
Hämta källkodspaketet pdb2pqr:
Ansvariga:
- Debian Med Packaging Team (QA-sida, E-postarkiv)
- Steffen Moeller (QA-sida)
- Manuel Prinz (QA-sida)
- Andreas Tille (QA-sida)
Externa resurser:
- Hemsida [www.poissonboltzmann.org]
Liknande paket:
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
Andra paket besläktade med pdb2pqr
|
|
|
|
-
- dep: python3
- interactive high-level object-oriented language (default python3 version)
-
- dep: python3-numpy
- Fast array facility to the Python language (Python 3)
-
- dep: python3-pdb2pqr
- Preparation of protein structures for electrostatics calculations
-
- sug: apbs
- Adaptive Poisson Boltzmann Solver
Hämta pdb2pqr
| Arkitektur | Paketstorlek | Installerad storlek | Filer |
|---|---|---|---|
| all | 11,2 kbyte | 31,0 kbyte | [filförteckning] |