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Load/save hydrogen bonds from/to HELM, KET and MOL #2460
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ljubica-milovic
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Load/save hydrogen bonds from/to HELM and KET
Load/save hydrogen bonds from/to HELM, KET and MOL
Oct 2, 2024
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AlexanderSavelyev
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Background
Hydrogen bonds for macromolecules are a type of ambiguous connection (do not require attachment points). They can only be established between monomers (not between monomers and small molecules or between two small molecules).
Most formats do not support this type of bonds (for macromolecules), but HELM does, and KET should.
In the HELM specifications hydrogen bonds are referred to as "hydrogen pairings".
Requirements
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