VMD-L Mailing List

From: Nuno Sousa Cerqueira (nscerqueira_at_gmail.com)
Date: Tue Apr 22 2014 - 05:44:00 CDT

Hello,

I developed a VMD plug-in that is extremely useful for students that are having their first contact with VMD. They are often puzzled with how the selections are done in VMD.

The plug-in allows them to manage the selections more easily through a new GUI. The GUI gives a general description of the protein using the ttk::tree widget. The final aspect is similar to what is found in dsViewer.

The plug-in can be downloaded from

http://www.fc.up.pt/PortoBioComp/database/doku.php?id=selection_manager

The plug-in allows the user do do several selection that are easily managed by the plug-in.

However I would like to extend its performance,
For instance I would like also to add an option that whenever the user selects a selection in the new GUI, they could easily change the color, drawing method, material, etc,

This is done with the EDIT button in the GUI. When this button is clicked it opens the graphical representation GUI of VMD. However I would also like that the program should be able to select the representation (on the graphical representation GUI), so that the user just has to change material, color, etc. But I could not find anyway of selecting the reps in the graphical representation GUI of VMD.

I know how to change representations through the repindex and repname keywords, but they do not allow to select the representation.
Is there any way of doing it?

Please try it out and give me your feedback.

Kind 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