VMD-L Mailing List

From: Michael LeVine (mlevine_at_wesleyan.edu)
Date: Sun Oct 23 2011 - 14:24:20 CDT

Hi all,

I am looking to draw a volume, and then count the number of residues
in that volume. For example, if I create an occupancy volume for all
resname A, I would like to then see how many resname B are within that
volume, but I can't seem to find a way to select residues based on
being within a volume. Also, I see that when I create a volume, the
VMD terminal displays the number of voxels. I'd like to write a script
that creates a volume for each frame of my trajectory and outputs the
number of voxels. Is their a command which can output the number of
voxels in a volume, like $sel num outputs the number of atoms in a
selection? Sorry if this question isn't clear, I am new to using tcl
scripts in VMD to calculate properties, and have limited programming
experience. Thank you!

Michael V. LeVine
Weill Medical College of Cornell University
Graduate School of Medical Sciences
Program in Physiology, Biophysics & Systems Biology