Skip to content
Sections
>> Trisquel >> Packages >> ecne (12.0LTS) >> python >> python3-pdbfixer
[  ecne  ] [  xolotl  ]
[ Source: python-pdbfixer  ]

Package: python3-pdbfixer (1.9-3)

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.

Other Packages Related to python3-pdbfixer

  • depends
  • recommends
  • suggests
  • 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

Download python3-pdbfixer

Download for all available architectures
Architecture Package Size Installed Size Files
all 452.3 kB2411 kB [list of files]