propka - Protonate PDB files based on pKa

ManuelPrinz <debian@pinguinkiste.de>
           Wrote this manpage for the Debian System.

       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.

       Copyright © 2008 Manuel Prinz

propka                                             2008-06-15                                          PROPKA(1)

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.

       propka - Protonate PDB files based on pKa

pdb2pqr(1)

propkaPROPKATMP1

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