Bug#1008622: ITP: python-pdbfixer -- Fix problems in Protein Data Bank files

[Andrius Merkys <merkys@debian.org>]

Package: wnpp
Owner: Andrius Merkys <merkys@debian.org>
Severity: wishlist

* Package name    : python-pdbfixer
  Version         : 1.8.1
  Upstream Author : Stanford University and Peter Eastman
* URL             : https://github.com/openmm/pdbfixer
* License         : Expat
  Programming Lang: Python
  Description     : 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.

Remark: This package is to be maintained with Debian Python Team at
   https://salsa.debian.org/python-team/packages/python-pdbfixer