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<p dir="ltr">Hi Elaine, <br>
I thought about sending the data but was hoping there was an easy solution to something I was doing wrong... Which there was! Using :52.water worked perfectly.
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<p dir="ltr">Thanks a ton! <br>
Thomas </p>
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<div class="gmail_quote">On Aug 12, 2016 14:49, Elaine Meng <meng@cgl.ucsf.edu> wrote:<br type="attribution">
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<div>Hi Thomas,<br>
It’s difficult to answer questions like this without the data… I only have one low-confidence guess, which is to try :52.water instead of :52
<br>
<br>
…as mentioned in the “subcategories” section of<br>
<<a href="http://www.rbvi.ucsf.edu/chimera/docs/UsersGuide/midas/frameatom_spec.html">http://www.rbvi.ucsf.edu/chimera/docs/UsersGuide/midas/frameatom_spec.html</a>><br>
<br>
If that doesn’t work, you would have to send us the data (or a smaller sample, if possible). You could send it to just me if you don’t want to send to the whole list.<br>
Best,<br>
Elaine<br>
-----<br>
Elaine C. Meng, Ph.D. <br>
UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab<br>
Department of Pharmaceutical Chemistry<br>
University of California, San Francisco<br>
<br>
On Aug 11, 2016, at 4:46 PM, Thomas Faour (x2013gua) <x2013gua@stfx.ca> wrote:<br>
<br>
> Hello there,<br>
> <br>
> I study water/ice systems and I have an algorithm which reads my trajectories and tell me if a certain water molecule can be considered “liquid”, “hexagonal ice” or “cubic ice”. So I can label each molecule at each frame as such. I am hoping to be able to
use this data to create a movie where each group is coloured differently, and should a molecule change groups be re-coloured accordingly.<br>
> <br>
> I attempted this by running a PER-FRAME script which reads my labels from a data file, and colours the molecules. However I ran into a problem, running either of the following commands:<br>
> <br>
> colour blue,a :52<br>
> select :52<br>
> <br>
> in the PER-FRAME script, or even just on the command line during an MD Movie does NOT work for me. This works for a single configuration file, but not during a movie. The command:<br>
> <br>
> color blue,a @OW<br>
> <br>
> however does work. I am currently using XTC trajectories, in case that is relevant.
<br>
> <br>
> What might fix my problem? Or is there a better way I could be doing this?<br>
> Cheers,<br>
> Thomas<br>
<br>
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