[ Quellcode: pdb2pqr ]
Paket: pdb2pqr (3.5.2+dfsg-3)
Links für pdb2pqr
Debian-Ressourcen:
Quellcode-Paket pdb2pqr herunterladen:
Betreuer:
- Debian Med Packaging Team (QS-Seite, E-Mail-Archiv)
- Steffen Moeller (QS-Seite)
- Manuel Prinz (QS-Seite)
- Andreas Tille (QS-Seite)
Externe Ressourcen:
- Homepage [www.poissonboltzmann.org]
Ähnliche Pakete:
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
Andere Pakete mit Bezug zu pdb2pqr
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- dep: python3
- interactive high-level object-oriented language (default python3 version)
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- dep: python3-numpy
- Schnelle Array-Einrichtung für die Sprache 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
pdb2pqr herunterladen
| Architektur | Paketgröße | Größe (installiert) | Dateien |
|---|---|---|---|
| all | 11,4 kB | 32,0 kB | [Liste der Dateien] |