Package: wnpp Owner: Andrius Merkys <mer...@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