Hello,
Tim says:
"I suspect that there's a unary group left after atom deletion (although
ChemBuild normally picks this up) or something odd with variants. It
would be easiest to have the *.pickle file from ChemBuild so I can trace
the problem and fix the compound."
(Email to me rather than the list.)
Wayne
On Fri, 30 Nov 2012, Laura de la Cruz wrote:
> Hi!
>
> I'm trying to import a peptide which is modified at both ends as a
> small compound into Analysis. When loading the xml-file from ChemBuild
> into Analysis I get the following error message:
>
> ccp.molecule.ChemComp.ChemAtomSet.checkValid:
> constraint prochirals_must_be_pairs violated:
> <ccp.molecule.chemComp.ChemAtomSet ['other', 'CN2', 'C1*', 1]>
>
> Does anyone know how to fix this?
>
> Many thanks,
> Laura
>
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