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