debian man page for propka

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 (C) 2008 Manuel Prinz

propka								    2008-06-15								 PROPKA(1)