NMR structure averaging
puck knipscheer
pknip at nki.nl
Thu Mar 2 08:45:51 EST 2000
Hi,
I am a crystallographer (not very experienced) who's trying to use CNS
NMR software. I'm using the rmsd_pm.inp file to calculate an average
structure from an NMR PDB file with 10 conformer structures. I get the
following error message:
%READC-ERR: atom 1 MET CB not found in molecular structure
and that for all the atoms. I've generated cns pdb and mtf files
using gnenrate_easy.inp but for some reason it does not seem to
recognize
the structure file.
Does anybody know a possible answer to this problem? Thanks!
Puck Knipscheer
The Netherlands Cancer Institute
Dept. of Molecular Carcinogenesis
Plesmanlaan 121
Amsterdam
pknip at nki.nl
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