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