VMD-L Mailing List

From: Olaf Lenz (olenz_at_icp.uni-stuttgart.de)
Date: Mon Feb 17 2014 - 06:29:54 CST

Ah, OK....
Well, this still means you do need Tcl scripting for it.
It does make some of my scripts somewhat simpler, though. No hooks
required, if you just want to change some user specified value that can be
displayed as a color.
For other things (like changing the radius), hooks are still required.

Olaf

2014-02-17 13:08 GMT+01:00 Norman Geist <norman.geist_at_uni-greifswald.de>:

> Yes.
>
>
>
> You can access this values via atomselect. Example:
>
>
>
> set a [atomselect top “index 1”]
>
> $a frame 0
>
> $a set user $myvalue
>
>
>
> So by using loops and maybe read you values from a simple text file you
> set individual values for all atoms, like you want. If you need help for
> the script, describe how your values look like.
>
>
>
> Norman Geist.
>
>
>
> *Von:* olaf.lenz_at_gmail.com [mailto:olaf.lenz_at_gmail.com] *Im Auftrag von *Olaf
> Lenz
> *Gesendet:* Montag, 17. Februar 2014 12:49
>
> *An:* Norman Geist
> *Cc:* VMD Mailing List
> *Betreff:* Re: vmd-l: Simplest file format that includes atom color?
>
>
>
> Hi!
>
>
>
> 2014-02-17 12:36 GMT+01:00 Norman Geist <norman.geist_at_uni-greifswald.de>:
>
>
> In principle, VMD is not really able to handle the case of time-dependent
> properties of the atoms.
>
>
>
> Since when? What about the user defined coloring, with which you can set a
> value per atom per timestep.
>
>
>
>
>
> Do you refer to the "Trajectory->User" coloring methods? I would be very
> interested to learn how this works or is intended to work. There does not
> seem to be any documentation on that anywhere, or is there?
>
>
>
> Olaf
>
>
>
>
> ------------------------------
> <http://www.avast.com/>
>
> Diese E-Mail ist frei von Viren und Malware, denn der avast! Antivirus<http://www.avast.com/>Schutz ist aktiv.
>
> 

-- 
Dr. rer. nat. Olaf Lenz
Institut für Computerphysik, Allmandring 3, D-70569 Stuttgart
Phone: +49-711-685-63607