[Biopython] SVDSuperimposer()
George Devaniranjan
devaniranjan at gmail.com
Fri Apr 11 15:58:52 UTC 2014
I was wondering if there is a faster way to do the following.
I am minimizing a protein structure and one of the 'measurements" is that
the minimized structure be as close to the starting value as possible.
Currently I use SVDSuperimposer.SVDSuperimposer() to calculate the RMSD
difference.
When I checked the various "energy terms" that are used to evaluate the
structure I find that the bottleneck is
indeed SVDSuperimposer.SVDSuperimposer().
Is there a way to do this more efficiently ?
Thank you
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