VMD-L Mailing List

From: Kaur, Tarandeep (Tarandeep.Kaur_at_targacept.com)
Date: Tue Jul 29 2008 - 07:55:49 CDT

I am trying to use volmap tool to create an occupancy map. I want the
occupancy of Nitrogen. It works fine if I use the GUI. However if I try
to write a command at the vmd prompt it does not show anything or just
draws a box around the compound. Also if I try to use the command in a
tcl script it draws a box and does not take all frames in account. In
the tcl script it shows total frames = 1 when actually there are 50
frames. The command I am executing is

volmap occupancy [atomselect top nitrogen] -res 0.2 -points -allframes
-combine max -mol top

I am executing in windows.

Please help

 

Tarandeep