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Wrong error when C1 requested, but anomer is C2. #149

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gitoliver opened this issue Mar 24, 2023 · 0 comments
Open

Wrong error when C1 requested, but anomer is C2. #149

gitoliver opened this issue Mar 24, 2023 · 0 comments
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@gitoliver
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The incorrect sequence DKDNpb1-OH throws an error, but it's incorrect/confusing and doesn't tell you that the C1 isn't available for this monosaccharide:
There was a problem making the default sequence request: Problem with the metadata found in gmml for this linkage. The number of identified rotatable dihedrals: 2 is greater than the number of metadata items: 1 found for this linkage: Residue_linkage Index: 93877580155488, Name: DKDNpb1-1ROH, NumberOfShapes: 1, ids: 0Kn_A_2???@c1 -- ROH_A_0_???@o1 O6, C2, C1, O1: -17.5039. C2, C1, O1, HO1: -55.1927._
It should say:
Problem with residue For these types of monosaccharides, the C2 is the reducing carbon.

@gitoliver gitoliver self-assigned this Mar 24, 2023
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