First time here? Please, join this professional magnetic resonance community forum!
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)
Here (once you log in) you will be able to sign up for the periodic email updates about this question.
Asked: Jan 19 '10 at 11:37
Seen: 1,487 times
Last updated: Jan 19 '10 at 11:40
Example of XPLOR NMR structure with unnatural custom residues
Software to create shaped pulse files from mathematical equation?
useful commands in sparky
Tool to extract NMR data in XY text file format?
A puzzle about NMRPipe COADD with -time option.
How to process gNhsqc_IPAP.c data with nmrPipe?
Header for Varian fid file
How to display NMR structure of molecule with non-standard residues?
What software can do relaxation matrix analysis of NOE?
Is it possible to run nmrPipe on Microsoft Windows?
powered by CNPROG