VMD-L Mailing List

From: Daniel Strahs (dstrahs_at_pace.edu)
Date: Thu Aug 03 2017 - 12:30:30 CDT

Hello all:

We have a water density map calculated from a simulations; the voxel
elements represent the frequency of oxygen atoms at a given location.

We can visually see some high-frequency hydration sites, and would like
to know what the spatial coordinates (x,y,z) of these elements. 

Is there any method for VMD to report out the information of a specifc
voxel(s) from a volume loaded into a molecule?

Thank you! If there isn't, I can always find another approach (like
Octave).

-- 
Daniel Strahs
Associate Professor
Department of Biology
Pace University, NYC