VMD-L Mailing List

From: MD Simulation (mdsimulationgroup_at_gmail.com)
Date: Mon May 25 2020 - 11:31:12 CDT

Hello,

I would like to get a list of atoms in each ring. I know there is
"atomselect ringsize" but this returns a single list of all atoms. If, for
example, the molecule is naphthalene, "atomselect ringsize 6 in all" would
return a single list of all carbon atoms. Is there a function or away to
program a proc to return a list of lists for each ring system of a specific
size?

My first thought is some kind of non-binary tree traversal.

Thanks for the help,
Stacey