Filewatcher File Search File Search
Catalog
Content Search
» » » » » pdb2pqr_1.8-1_sparc.deb » Content »
pkg://pdb2pqr_1.8-1_sparc.deb:456978/usr/share/man/man1/  info  control  downloads

pdb2pqr - Preparation of protein structures for electrostatics calculations…  more info»

propka.1.gz

PROPKA(1)                   PROPKA Manual                  PROPKA(1)



NAME
       propka - Protonate PDB files based on pKa

SYNOPSIS
       propka PROPKATMP1

DESCRIPTION
       propka automates the protonation (positioning of hydrogen
       ions) to a structure in PDB format for any given pKa value.
       The file to use has to be named PROPKATMP1 in the directory
       where propka is run.

       propka will generate two output files named PROPKATMP2 and
       PROPKATMP3.  PROPKATMP2 contains the resulting structure in
       PDB format.  PROPKATMP3 contains a summary of the propka run.

CITING PROPKA
       Please acknowledge your use of propka by citing:

       Hui Li, Andrew D. Robertson, and Jan H. Jensen: Very Fast
       Empirical Prediction and Interpretation of Protein pKa
       Values, Proteins, 2005, 61, 704-721.

WEB SERVICE
       PropKa can be used via a web interface at
       http://propka.ki.ku.dk/.

SEE ALSO
       pdb2pqr(1)

AUTHOR
       Manuel Prinz <debian@pinguinkiste.de>
           Wrote this manpage for the Debian System.

COPYRIGHT
       Copyright © 2008 Manuel Prinz



propka                       2008-06-15                    PROPKA(1)
Results 1 - 1 of 1
Help - FTP Sites List - Software Dir.
Search over 15 billion files
© 1997-2017 FileWatcher.com