[Chimera-users] perframe script

Bala subramanian bala.biophysics at gmail.com
Wed Dec 23 03:36:06 PST 2009


Friends,

I loaded a amber trajectory in chimera. I simply want to calculate the
distance between two atom in each frame in the traj. and write it to a text
file. I used the per-frame utility in MD movie tool.

I chose interpret script as 'chimera commands'
substitute text 001-200 (frame 1 to 200)

In the script section i gave
distance :163 at CA :166 at CA

It reports to me the following in the reply log.
Distance between GLY 163 CA and ARG 166 CA: 5.083
Problem in per-frame script:
Distance monitor already exists
Problem in per-frame script:
Distance monitor already exists
Problem in per-frame script:
Distance monitor already exists

How should i actually use the perframe option so that the analysis will be
done in each frame and reported output file will hve the distance values for
every frame.

Thanks,
Bala
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