[ Quellcode: pdb2pqr ]
Paket: python3-pdb2pqr (3.5.2+dfsg-3)
Links für python3-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
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python3-pdb2pqr herunterladen
| Architektur | Paketgröße | Größe (installiert) | Dateien |
|---|---|---|---|
| all | 132,3 kB | 1.142,0 kB | [Liste der Dateien] |