VMD-L Mailing List

From: Nicolas Sapay (nicolas.sapay_at_cermav.cnrs.fr)
Date: Fri Jun 04 2010 - 03:46:30 CDT

Hello,

I need to follow the conformation of a couple of rings (with 5 or 6
atoms) over a trajectory. The ring conformation can be visualize with
the paper chain representation but I need to put the data in some text
file for complementary analysis. Is there a way to get the ring
conformation and/or the Cremer-Pople spherical coordinates directly from
the paper chain representation? If not, is there at least an easy way to
select 5 or 6 membered rings?

Regards,
Nicolas