PDBPreprocessor CONECT cards can be either duplicated or incomplete.

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Glycam Molecular Modeling Library

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PDBPreprocessor CONECT cards can be either duplicated or incomplete. #130

Closed gitoliver closed 11 months ago

gitoliver commented 2 years ago

E.g.: missing the second atom index CONECT18102
CONECT18935
CONECT18936
CONECT20196
Or in another e.g. duplicated: CONECT 333 1271
CONECT 1271 333
CONECT 1826 2947
CONECT 2947 1826

gitoliver commented 11 months ago

Fixed. The duplicates are actually part of the format, I guess cause it's easier just to ask each atom what it's connected to?