VMD-L Mailing List

From: Maxim Belkin (mbelkin_at_ks.uiuc.edu)
Date: Thu Jul 10 2014 - 08:53:21 CDT

Hi Nuno,

If you already have energies, then store them in a tcl list and use VMD's "draw text" command to print text on top of trajectory. You may also create a proc that is called every time frame changes when you play your movie.

Related links:
http://www.ks.uiuc.edu/Research/vmd/current/ug/node128.html
http://www.ks.uiuc.edu/Training/Tutorials/vmd-ref/imgmv/tutorial-html/node3.html

Maxim
        
On Jul 10, 2014, at 7:24 AM, Nuno Sousa Cerqueira <nscerqueira_at_gmail.com> wrote:

> Hello.
>
> I have a series of PDB structures that I have joined in order to create a trajectory.
> I would like to see the animation of those PDB structure in VMD and at the same time observe the changes in energy of each structure.
> One way of doing this is to store the energies of each PDB as a comment on the trajectory file. So each PDB will have a line with a comment containing its energy.
> My question is: Is there any way that while VMD is playing the PDB animation I can retrieve the stored energies ( such as a variable=?
> Does anyone has a idea of doing this ?
>
> Regards,
>
> Nuno
>
> _______________
>
> Nuno M. F. Sousa A. Cerqueira
> Chemistry Department
> Faculty of Sciences
> University of Porto
> Rua do Campo Alegre, s/n
> 4169-007 Porto
> Portugal
> Tel: +351 220402501
> Fax: +351 220 402 009
> email: nscerque_at_fc.up.pt
> website: http://www.fc.up.pt/pessoas/nscerque