[Chimera-users] Distances measurement for NMR ensemble

James Starlight jmsstarlight at gmail.com
Fri Jul 15 01:31:11 PDT 2016


Thanks so much Elaine !
I love Chimera !!

James

2016-07-14 22:48 GMT+02:00 Elaine Meng <meng at cgl.ucsf.edu>:
> Hi James,
> MD Movie plotting includes distances, angles, dihedrals, and/or RMSDs from the trajectory, and you can dump the values to a file.  See the “Plotting” section:
> <http://www.rbvi.ucsf.edu/chimera/docs/ContributedSoftware/movie/framemovie.html>
>
> You can open a single multiple-model PDB file (such as used for NMR ensembles) as a trajectory with MD Movie and then use the plotting.  PDB input as a trajectory does not require any other files.  See the “Startup and Input” section of the link above.
>
> 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
>
>> On Jul 14, 2016, at 7:04 AM, James Starlight <jmsstarlight at gmail.com> wrote:
>>
>> Dear Chimera Users!
>>
>> I wonder to ask whether it possible to calculate distances between two
>> selected atoms by means of the Chimera's Distance measurement tool
>> providing as input NMR-ensemble consisted of 20 snapshots (without any
>> additional files like topology!) or alternatively small md trajectory,
>> obtaining also some elementrary statistics (E.g RMSD etc)
>>
>> Thanks!
>>
>> James
>



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