VMD-L Mailing List

From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
Date: Tue Mar 24 2020 - 13:19:16 CDT

Thanks for pointing that out and please copy the list.

As an alternative, you could look into the Tcl "trace" command to see if it
helps.

But by then, you would probably be in too deep with Tcl, so maybe you want
to try and look at one of the existing examples?
http://www.ks.uiuc.edu/Research/vmd/vmd-1.9.3/ug/node203.html#SECTION001542100000000000000
It may be exactly what you need or not: tough to say with the information
given. But scripts like that are what you should be starting from.

If not, open the .tcl files of any plugin you need to look at the procs
involved.

Giacomo

On Tue, Mar 24, 2020 at 1:45 PM Philippe Bopp <philippebopp_at_yahoo.com>
wrote:

> thanks for your answer
>
> you wrote
>
> > From the user's guide:
> >
> > http://www.ks.uiuc.edu/Research/vmd/vmd-1.9.3/ug/node135.html
> <http://www.ks.uiuc.edu/Research/vmd/vmd-1.9.3/ug/node135.html>
>
>
> I am aware of the possibility to log, however, not everything is logged:
>
> The user's guide says:
>
> "The only actions recorded are those which change the state of the VMD
> display, so straight Tcl commands are not saved".
>
> so unfortunately I do not see which commands are generated by the RMSDTT
> gui
>
> cheers
>
> Philippe
>
>
> On Tue, Mar 24, 2020 at 9:50 AM Philippe Bopp <
> philippebopp_at_remove_yahoo.com> wrote:
>
> dear all,
>
> I would like to write a tcl script doing many rmsd calculations in vmd
> Interactively, it works fine with the RMSD trajectory tool
> (and also the RMSD visulisation tool)
>
> I would now need, but could not find, a documentation how to call the
> relevant routine(s) from a script
> or
> find a way to display the command(s) generated by the GUI so i could
> modify it/them
> (write results to various files etc)
>
> any idea?
>
> many thanks
>
> Philippe
>
>
> -----------------
> Philippe A. Bopp
> professor of chemistry (retired)
>
> philippebopp AT yahoo.com
> ---------------
>
>
>
> --
> Giacomo Fiorin
> Associate Professor of Research, Temple University, Philadelphia, PA
> Research collaborator, National Institutes of Health, Bethesda, MD
> http://goo.gl/Q3TBQU
> https://github.com/giacomofiorin
> 

-- 
Giacomo Fiorin
Associate Professor of Research, Temple University, Philadelphia, PA
Research collaborator, National Institutes of Health, Bethesda, MD
http://goo.gl/Q3TBQU
https://github.com/giacomofiorin