ICDA

From Jacobson Lab Wiki

Revision as of 23:45, 26 January 2012 by Jbylund (Talk | contribs)
Jump to: navigation, search

ICDA (Independent Cluster Decomposition Algorithm) is a pka command used to assign protonation states.

Quick Start: To run ICDA

 pka clust beg end fastpka no adjust yes

To get plop to recognize the altered protonation states, in load pdb ....

  load pdb mypdb.pdb pka frompdb [other options]

Personal tools