VMD-L Mailing List

From: dimka (newyorkdimka_at_gmail.com)
Date: Thu Nov 01 2007 - 13:46:44 CDT

Hi is there a way to clone a loaded molecule?

for example, I have a molecule 0 loaded. I'm looking for a way
(through tcl) where same molecule will be cloned and loaded as
molecule N.

right now in my script, I'm applying a series of transformations to a
molecule and saving the final coordinates if they fit certain
criteria. I'm re-reading the initial coordinates at each step, but I
would like to avoid this step and just revert to the original
coordinates.

So i was thinking about reading the original coordinates into say
molecule 0, and cloning this molecule to which the transformations
will be applied. the number of steps will be somewhere between
10k-100k so i'd like to avoid reading form HD as much as possible.

dima