Balík: python3-pdbfixer (1.9-3)

Odkazy pre python3-pdbfixer

Zdroje Trisquel:

Stiahnuť zdrojový balík python-pdbfixer:

Správca:

Debian Python Team

Original Maintainers:

Debian Python Team
Andrius Merkys

Externé zdroje:

Domovská stránka [github.com]

Podobné balíky:

Fix problems in Protein Data Bank files (Python 3)

PDBFixer is an application for fixing problems in Protein Data Bank files in preparation for simulating them. It can automatically fix the following problems:

 - Add missing heavy atoms.
 - Add missing hydrogen atoms.
 - Build missing loops.
 - Convert non-standard residues to their standard equivalents.
 - Select a single position for atoms with multiple alternate positions listed.
 - Delete unwanted chains from the model.
 - Delete unwanted heterogens.
 - Build a water box for explicit solvent simulations.

This package installs the library for Python 3.

Ostatné balíky súvisiace s balíkom python3-pdbfixer

závisí

odporúča

navrhuje

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-openmm

Python bindings for the OpenMM molecular simulation package

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