[Chimera-users] chimera to rebuild crystal
goddard at cgl.ucsf.edu
Wed Jan 17 09:01:05 PST 2007
Thanks for the clarification. I agree that it is important to get
just the contacting chains, not the whole asymmetric units, and that
both crystal symmetries and unit cell translations need to be considered.
The basic code to achieve this is already in Chimera so it should not
be difficult to add. The needed routines are used by the "crystal
contacts" experimental plugin
although that tool works at the level of whole asymmetric units. Some
adaptations of that code would allow it to instead consider individual
chains and display all atoms of each chains instead of a single sphere
for each chain. I'll let you know when I have written code you can try.
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