VMD-L Mailing List

From: Ajasja Ljubetič (ajasja.ljubetic_at_gmail.com)
Date: Tue Jul 16 2013 - 11:27:16 CDT

To save you some trouble, a script that will serve as an excellent starting
point for your needs is implemented here:
http://www.ks.uiuc.edu/Research/vmd/current/ug/node200.html#ug:scripts:rmsd

On 16 July 2013 17:57, Ajasja Ljubetič <ajasja.ljubetic_at_gmail.com> wrote:

> Yes, but you have to do a bit of TCL scripting.
> An understanding of atomselections and the "measure fit " command will be
> useful. The are various TCL example scripts floating around the internet
> that show how to loop through all frames of the trajectory.
>
> HTH,
> Ajasja
>
>
> On 16 July 2013 16:18, Andrei Tudor <andrei.tudor.1_at_ulaval.ca> wrote:
>
>>
>> Hello,
>>
>> I am trying to center a system around the backbone of a protein, just
>> like the align from RMSD Trajectory Tool does, but from command line.
>> Is there such a command already implemented?
>>
>> Thanks,
>> Andrei
>>
>
>