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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