Bug#1014513: ITP: pdb-tools -- tools for manipulating and editing PDB files

[Andrius Merkys <merkys@debian.org>]

Package: wnpp
Owner: Andrius Merkys <merkys@debian.org>
Severity: wishlist
Control: block 1014457 by -1

* Package name    : pdb-tools
  Version         : 2.5.0
  Upstream Author : João Pedro Rodrigues
* URL             : https://www.bonvinlab.org/pdb-tools/
* License         : Apache-2.0
  Programming Lang: Python
  Description     : tools for manipulating and editing PDB files

Manipulating PDB files is often painful. Extracting a particular chain
or set of
residues, renumbering residues, splitting or merging models and chains,
or just
ensuring the file is conforming to the PDB specifications are examples
of tasks
that can be done using any decent parsing library or graphical
interface. These,
however, almost always require 1) scripting knowledge, 2) time, and 3)
installing
one or more programs.

pdb-tools were designed to be a swiss-knife for the PDB format. They have no
external dependencies, besides obviously the Python programming language.
They are the descendant of a set of old FORTRAN77 programs that had the
particular advantage of working with streams, i.e. the output of one script
could be piped into another. Since FORTRAN77 is a pain too, I rewrote
them in
Python and added a few more utilities.

The philosophy of the scripts is simple: one script, one task. If you
want to
do two things, pipe the scripts together. Requests for new scripts will
be taken
into consideration - use the Issues button or write them yourself and
create a
Pull Request.

pdb-tools is a dependency of haddock3 (ITP #1014457), but it is also a
useful package on its own.

Remark: This package is to be maintained with Debichem Team at
   https://salsa.debian.org/debichem-team/pdb-tools