[Xplor-nih] about anneal.py

[那美荣]

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