Derivatives to a 6 branch should remain rotatable when resolving overlaps, but should not show up as possible rotamers to user

GLYCAM-Web / gmml

Glycam Molecular Modeling Library

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Derivatives to a 6 branch should remain rotatable when resolving overlaps, but should not show up as possible rotamers to user #146

Open gitoliver opened 1 year ago

gitoliver commented 1 year ago

The 6ME shouldn't be producing rotamers anymore too. The total count for this sequence should be 1.

DGlcpb1-4DGlcp[2Me,6Me]b1-4DGlcpb1-4DGlcp[2Me]b1-4DGlcp[2Me,3Me,6Me]b1-4DGlcp[3Me,6Me]b1-4DGlcp[2Me,6Me]b1-4DGlcp[2Me]b1-4DGlcpb1-4DGlcp[2Me,3Me]b1-4DGlcp[2Me,6Me]b1-4DGlcp[2Me,3Me,6Me]b1-4DGlcp[3Me]b1-4DGlcpa1-OH

This should have 1 likely shape, not >2^32 from all the 6Me combos.

I was sure I fixed this, but perhaps I only did it for a subclass of derivatives.

gitoliver commented 5 months ago

This is still an active issue.