This is the command propka that can be run in the OnWorks free hosting provider using one of our multiple free online workstations such as Ubuntu Online, Fedora Online, Windows online emulator or MAC OS online emulator
PROGRAM:
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/.
Use propka online using onworks.net services
