VMD-L Mailing List

From: Rafael Bernardi (rcbernardi_at_auburn.edu)
Date: Fri Jan 29 2021 - 11:21:07 CST

Hello Yuvam,

If you are making a selection that works just invert the selection by saying:

not “previous selection”

for instance, if you selection that is working is:

set sel [atomselect top “water”]

you can now do:

set sel [atomselect top “not water”]

make sure to use () around your selection if it is a long one, e.g.:

set sel [atomselect top “not (water and x>0)”]

Best wishes,

Rafael



……………………………………………………………………...
Rafael C. Bernardi
Biophysics Cluster - Department of Physics at Auburn University
NIH Center for Macromolecular Modeling & Bioinformatics
rcbernardi_at_auburn.edu<mailto:rcbernardi_at_auburn.edu>
rcbernardi_at_ks.uiuc.edu<mailto:rcbernardi_at_ks.uiuc.edu>
www.ks.uiuc.edu/~rcbernardi<http://www.ks.uiuc.edu/~rcbernardi>
+1 (334) 844-4393





From: <owner-vmd-l_at_ks.uiuc.edu> on behalf of Yuvam Bhateja <yuvamb16_at_gmail.com>
Date: Friday, January 29, 2021 at 11:08 AM
To: "vmd-l_at_ks.uiuc.edu" <vmd-l_at_ks.uiuc.edu>
Subject: vmd-l: Deselecting the atoms

Greetings experts,

I wish to know about the selection tool of VMD. I wish to make cylindrical holes in a 30A thick square slab like structure of SiO2. I can select the atoms corresponding the holes but don't know how to select the rest of the atoms EXCEPT those atoms corresponding to the holes.

Is it possible to select atoms in such a way that all the atoms/residues are selected in a molecule except one particular residues?

I'll be grateful for the suggestion.

Regards
Yuvam Bhateja
India