GLYCAM-Web / GLYCAM-Web/gmml

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

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#146 1 comment 0 reactions 1 assignee Claimed by @gitoliver View on GitHub
bug
Dominant language
C++
Stars
7
Forks
11
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No merged PRs in 30d

Description

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.

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