Package: wnpp Owner: Andrius Merkys <mer...@debian.org> Severity: wishlist
* Package name : propka Version : 3.4.0 Upstream Author : Jan H. Jensen * URL : http://propka.org * License : LGPL-2.1 Programming Lang: Python Description : heuristic pKa calculations with ligands PROPKA predicts the pKa values of ionizable groups in proteins (version 3.0) and protein-ligand complexes (version 3.1 and later) based on the 3D structure. For proteins without ligands both versions should produce the same result. propka has been embedded in the source of pdb2pqr for quite some time. pdb2pqr 3.5.2 does not embed it anymore, instead depending on separate propka package which I will package to update pdb2pqr. I will maintain propka under Debian Med umbrella.
