[Chimera-users] Selected measure angles
pett at cgl.ucsf.edu
Thu Dec 1 13:40:35 PST 2016
Depends on your familiarity with Python really. If you don’t know Python well then it might be easier to parse the reply log. If you have some familiarity with Python then you would use the Python equivalents of the angle/distance commands to get the values and write them to a file (runCommand never returns a value itself).
In Python, you could use runCommand to select the atoms you want to measure and then:
Outside the loop
from Midas import distance, angle
Inside the loop, either
d = distance()
… write the distance to a file...
a = angle()
… write the angle to a file...
UCSF Computer Graphics Lab
> On Dec 1, 2016, at 12:15 PM, Soumya Govinda Remesh <sgremesh at lbl.gov> wrote:
> I have just modified the loop script available here (http://www.rbvi.ucsf.edu/chimera/docs/ProgrammersGuide/basicPrimer.html <http://www.rbvi.ucsf.edu/chimera/docs/ProgrammersGuide/basicPrimer.html>)
> to measure certain angles and distances. I just want to know if there is a way to export the individual values of angles and distances to a file other than parsing from the reply-log. Thank you.
> Soumya Govinda Remesh, Ph.D.
> Postdoctoral Fellow at Advanced Light Source
> Lawrence Berkeley National Laboratory
> 1 Cyclotron Road MS 6R2100
> Berkeley, CA 94720
> (phone) 510-495-8179 <tel:510-495-8179>
> (cell) 804-402-8730
> sgremesh at lbl.gov <mailto:sgremesh at lbl.gov>
> Chimera-users mailing list: Chimera-users at cgl.ucsf.edu
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