[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").   

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 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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