VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Mon Mar 03 2014 - 16:04:14 CST

On Mon, Mar 3, 2014 at 4:25 PM, Dawid das <addiw7_at_googlemail.com> wrote:
> Dear vmd specialists,
>
> I want to do following thing.
> Let's say I have a reference structure and 50 others.
> Now I want to align those 50 on the reference structure.
> When I do it I want to save new xyz coordinates for 50
> transformed structures. Is it possible at all?

most certainly.

> How do I specify that my first structure is actually the reference one?

i don't understand this question. that would be part of the alignment
process and thus part of the script you would write to perform the
alignment.

axel.

> Thanks in advance,
> Dawid Grabarek 

-- 
Dr. Axel Kohlmeyer  akohlmey_at_gmail.com  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.