Hi Christoph,
> ok. step by step. The structure is from XPLOR-NIH (cns or xplor
> nomenclature) when I load it through Structure:Edit Structures, I get:
> ... is not a file originating from PDB Cannot be read.
> Trying to load structure from non-standard PDB file
Importing a PDB file requires an official (i.e. released by the PDB) file,
because header information is used as well.
> then nothing happens except that the structure is visible in the
> CurrentStructures-popup and the StructureViewer. When there is an amino
> acid mismatch, analysis complains about that at this stage and the
> offending residue is ommitted. However, no LinkResonances appears
Structures/coordinates are not handled via linkResonances - the
coordinates are directly linked to Atoms. This is possible because the
atom names in coordinate files are much more consistent then in, for
example, chemical shift files, and you don't have to deal with ambiguous
information.
> Running the Structre through format convertor, the LinkResonances-popup
> shows up after Import:SingleFiles:Coordinates:CNS if I then choose atom
> naming XPLOR this gets recognized in the Current:Strutures-popup but
> otherwise the Structure does not behave differently from other imports.
The popup you get is not part of linkResonances (but very similar), as you
still need to know the mapping between the residues in the coordinate file
and those that already exist in the CCPN data model.
But I'm confused by this last paragraph: did it work in the end or not?
Wim
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