Hi,
The problem that Phil had:
> hi. i'm exporting my noe distance restraints from analysis to use in cns. i've
> found that using format converter -> export -> cns produces a file which cns
> cannot use - giving an error message for every restraint:
>
> %NOE-ERR: problem at 158 -999.000 -999.000
> %NOESET-ERR: error in selection - no atoms spec
...is because the segid in the CNS constraint file did not correspond to
the information in the other CNS files, and CNS could not select any
atoms. If you use export->cns, make sure to set the segid string correctly
in the export options so that it works with your CNS files.
There was also a small glitch with exporting the HD*/HE* atom selection,
which is fixed for the next release.
Bye,
Wim
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Wim Vranken [log in to unmask]
Macromolecular Structure Database (MSD) group
European Bioinformatics Institute (EMBL outstation)
Wellcome Trust Genome Campus
Cambridge CB10 1SD, UK
Tel: +44-1223-494682 Fax: +44-1223-494487
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