Hello direx-crew,
is it possible to use the output of chimera distance measurements directly as distance restain in direx?
Distance restrais directly from chimera
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Stephan Wickles
- Posts: 2
- Joined: Wed Feb 09, 2011 5:09 am
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Gunnar Schroeder
- Posts: 9
- Joined: Wed Mar 07, 2007 12:37 pm
RE: Distance restrais directly from chimera
Hi,
there is no direct way to do this, but this is a good idea. Chimera writes out the list of distances in this format:
Model #0 is snare.pdb
Distance information
1 GLU 52 CD <-> ASP 41 CG: 15.672
One would need to convert the atom identifiers to just atom numbers. DireX needs the distance restraints in the format:
1
234 344 15.672 1.00 1.00
I can write a small bash script to do this. Give me some time, I let you know when I have it.
Gunnar
there is no direct way to do this, but this is a good idea. Chimera writes out the list of distances in this format:
Model #0 is snare.pdb
Distance information
1 GLU 52 CD <-> ASP 41 CG: 15.672
One would need to convert the atom identifiers to just atom numbers. DireX needs the distance restraints in the format:
1
234 344 15.672 1.00 1.00
I can write a small bash script to do this. Give me some time, I let you know when I have it.
Gunnar