Hi Brian,
> I'm getting a glitch when I try to read my pseudo PDB files from CNS
> (as pseudoPDB with IUPAC naming). When reading the terminal carboxylic acid
> oxygens O & OXT, formatConverter offers to link both to O' (but not O'') and
> then complains (sensibly) about assigning two sets of coords to one atom:
So pseudo PDB with XPLOR naming doesn't work? That one uses OT1 and OT2
(as well as MOLMOL). Or directly CNS format coordinate reading?
Bye,
Wim
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