ICDA

From Jacobson Lab Wiki

(Difference between revisions)
Jump to: navigation, search
(New page: 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 o...)
m
Line 1: Line 1:
Quick Start:
Quick Start:
To run ICDA
To run ICDA
-
 
+
<big>
pka clust beg end fastpka no adjust yes
pka clust beg end fastpka no adjust yes
-
 
+
</big>
To get plop to recognize the altered protonation states, in load pdb ....
To get plop to recognize the altered protonation states, in load pdb ....
-
 
+
<big>
load pdb mypdb.pdb pka frompdb [other options]
load pdb mypdb.pdb pka frompdb [other options]
 +
</big>

Revision as of 04:44, 9 August 2010

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