Paket: python3-pdb2pqr (3.6.1+dfsg-1)

Länkar för python3-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 python3-pdb2pqr

beror

rekommenderar

föreslår

enhances

dep: python3

interactive high-level object-oriented language (default python3 version)
dep: python3-docutils

text processing system for reStructuredText (implemented in Python 3)
dep: python3-numpy

Fast array facility to the Python language (Python 3)
dep: python3-pdbx

utilities for PDBx/mmCIF storage model (Python 3)
dep: python3-propka

heuristic pKa calculations with ligands (Python 3)
dep: python3-requests

elegant and simple HTTP library for Python3, built for human beings

Hämta python3-pdb2pqr

Hämtningar för alla tillgängliga arkitekturer
Arkitektur	Paketstorlek	Installerad storlek	Filer
all	132,6 kbyte	1.142,0 kbyte	[filförteckning]