Hi everyone, I have generated a peptide(22 residues) 20 acceptable structures only based on a set of NOE restraints using ¡®tutorial/nmr_torsion/torsion.inp¡¯. the result showed the peptide contained 2 helix ranges and had good RMSDs, but ramachandran plot is not satisfying. Then, as John Kuszewski¡¯s suggestions. I used eginput/gb1_rdc/anneal.py script to generate structures in order to use rama potential and I replaced the rdc restrains with kong.tbl. but I got a coil structure and many dihedral angles is in the range of ¦Â sheet in ramachandran plot. Which is dramaticly different from the result which were generate by torsion.inp. Could anyone help me? thanks
guohua xu
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