[Chimera-users] Chimera hbond

Elaine Meng meng at cgl.ucsf.edu
Thu Sep 5 09:44:09 PDT 2013


On Sep 5, 2013, at 2:40 AM, Neha Gandhi <n.gandhiau at gmail.com> wrote:

> Hi Elaine,
> 
> I was going through your response on chimera mailing list regarding
> saving h-bond analyses during MD ensemble/movie. Either one can write
> files every nth frame or save log files. Is there a way to put all the
> output of the frames one by one in one single file?
> 
> Your help is appreciated.
> 
> -- 
> Regards,
> Dr. Neha S. Gandhi,
> Curtin Research Fellow,
> School of Biomedical Sciences,
> Curtin University,
> Perth GPO U1987
> Australia
> LinkedIn
> Research Gate

Hi Neha,
Writing the information to the Reply Log does not save a file.  You can accumulate multiple sets of results in the Reply Log and then, at the end, save the Reply Log contents to a single file.

The "findhbond" command has two separate options to write results to a file ("saveFile true") and to write results to the reply log ("log true").   
<http://www.rbvi.ucsf.edu/chimera/docs/UsersGuide/midas/findhbond.html>

You can save the contents of the Reply Log (in menu under Favorites) to a file with its Save button.

I hope this helps,
Elaine
----------
Elaine C. Meng, Ph.D. 
UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab
Department of Pharmaceutical Chemistry
University of California, San Francisco

P.S. please send chimera questions to chimera-users at cgl.ucsf.edu (CC'd on this message) instead of to me directly - thanks!





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