Package: wnpp Severity: wishlist Owner: Manuel Prinz <debian@pinguinkiste.de> * Package name : propka Version : 1.0.0 Upstream Author : Jan Jensen <jhjensen@theory.ki.ku.dk> * URL : http://propka.ki.ku.dk/ * License : GPL Programming Lang: Fortran Description : Modifies the protonation state of protein structures PropKa is a tool to modify the protonation state of a protein structure in the Protein Data Bank (PDB) format to match a given pKa value. . It can also be used to refine NMR structures, which often yield inaccurate pKa values for some residues. . The PROPKA method is described in Hui Li, Andrew D. Robertson, and Jan H. Jensen "Very Fast Empirical Prediction and Interpretation of Protein pKa Values" Proteins, 2005, 61, 704-721 Note: The program is currently only distributed by the author on request, since noone ever packaged it in a distributable form. I'm working on that with upstream, so a tarball is hopefully available soon. -- System Information: Debian Release: 4.0 APT prefers stable APT policy: (500, 'stable') Architecture: amd64 (x86_64) Shell: /bin/sh linked to /bin/bash Kernel: Linux 2.6.18-4-amd64 Locale: LANG=de_DE.UTF-8, LC_CTYPE=de_DE.UTF-8 (charmap=UTF-8)
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