ICDA

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'''ICDA''' ('''Independent Cluster Decomposition Algorithm''') is a [[pka]] [[Plop Commands|command]] used to assign protonation states.
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Quick Start:
Quick Start:
To run ICDA
To run ICDA

Revision as of 23:45, 26 January 2012

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]

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