VMD-L Mailing List

From: peter.schmidtke_at_fr.netgrs.com
Date: Thu May 24 2012 - 08:16:55 CDT

Dear VMD users/developers,

 

I'd like to create a selection of atoms that is within a given distance
from a point in 3D cartesian space (not a molecular object, atom or
whatsoever).

 

How can this be achieved in VMD/tcl? I've been searching around for
documentation but was fairly unsuccessful.

Basically I'd like to do something like :

atomselect top "protein within 20.0 of {-1 1 0}"

 

Where {-1 1 0} is the cartesian coordinate from which I'd like to do the
measure.

 

Thanks in advance for your help.

 

Best regards.

 

Peter Schmidtke