VMD-L Mailing List

From: Veronika Brazdova (v.brazdova_at_ucl.ac.uk)
Date: Mon Feb 05 2007 - 10:11:23 CST

Dear Axel,

> (anything that matches the 'water' macro and is within 2\AA of something).
> what you want to use is an additional restriction to select only
> whole residues. so: 'same residue as (water within 2.0 of <something>)'
> should do what you want.
That did the trick. I can now select all necessary waters and residues from
the Tk Console and write them in a Pdb file.

Thanks

Veronika