I have a fragment of a larger molecule that I'm doing some NMR structure
calculations on. I have been calling the first residue in my polymer,
residue 135. Sander and leap are calling it residue 1. Can I use leap
to introduce an offset in the residue numbering somehow? Converting
residue numbers back and forth for the violation analysis is a nuisance
and may introduce mistakes.
Brendan
--
Brendan Duggan <bmduggan.musc.edu>
Medical University of South Carolina
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Received on Wed Jan 09 2008 - 06:07:18 PST
