[Chimera-users] Distances measurement for NMR ensemble
jmsstarlight at gmail.com
Fri Jul 15 01:31:11 PDT 2016
Thanks so much Elaine !
I love Chimera !!
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:
> 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 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)
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