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Hi there! Could anyone share an example of NIH-XPLOR files for annealing of NMR structure with non-natural residues. Maybe some organic molequle or peptide? Could you upload somewhere and post a link?
Jan 19 '10 at 11:37
updated Jan 19 '10 at 11:40
Hi Anita, you'll need to define topology for your molecule in terms of bonds, angles, dihedrals and impropers, enter any missing parameters and create a set of initial coordinates. I will try to find an example for you by next week, but hopefully somebody else will help before then :). Cheers.
- Evgeny Fadeev
(Jan 29 '10 at 10:52)
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Asked: Jan 19 '10 at 11:37
Seen: 1,240 times
Last updated: Jan 19 '10 at 11:40
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