GLYCAM-Web / GLYCAM-Web/gmml

Carbbuilder hangs on very large carbohydrate structures.

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#121 0 comments 0 reactions 2 assignees Claimed by @Pshepp View on GitHub
bug
Dominant language
C++
Stars
7
Forks
11
PR merge metrics
No merged PRs in 30d

Description

The carb builder will get to the clash resolution part and hang on structures like below. Perhaps a permutation bomb for the wiggler? Either need to make it smarter, or switch to beads/ a different algo when the number of residues gets large.
Building DGlcpa1-4DGlcpa1-4[DGlcpa1-4DGlcpa1-4[DGlcpa1-4DGlcpa1-4DGlcpa1-4[DGlcpa1-4DGlcpa1-4[DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-6]DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-6]DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-6]DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4[DGlcpa1-4DGlcpa1-4DGlcpa1-4[DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-6]DGlcpa1-4DGlcpa1-4DGlcpa1-4[DGlcpa1-4DGlcpa1-4DGlcpa1-4[DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-6]DGlcpa1-4DGlcpa1-4[DGlcpa1-4DGlcpa1-4DGlcpa1-4[DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-6]DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-6]DGlcpa1-4DGlcpa1-4DGlcpa1-4[DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-6]DGlcpa1-4DGlcpa1-6]DGlcpa1-4DGlcpa1-4[DGlcpa1-4DGlcpa1-4[DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-6]DGlcpa1-4[DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-6]DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-6]DGlcpa1-4DGlcpa1-6]DGlcpa1-4DGlcpa1-6]DGlcpa1-4DGlcpa1-4DGlcpa1-4[DGlcpa1-4DGlcpa1-4DGlcpa1-4[DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-6]DGlcpa1-4DGlcpa1-4[DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-6]DGlcpa1-4DGlcpa1-4DGlcpa1-4[DGlcpa1-4DGlcpa1-4DGlcpa1-4[DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-6]DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4[DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-6]DGlcpa1-4DGlcpa1-6]DGlcpa1-4DGlcpa1-6]DGlcpa1-4DGlcpa1-4DGlcpa1-4[DGlcpa1-4DGlcpa1-4[DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4[DGlcpa1-4DGlcpa1-4DGlcpa1-4[DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4[DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-6]DGlcpa1-4DGlcpa1-4DGlcpa1-6]DGlcpa1-4DGlcpa1-4[DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4[DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-6]DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-6]DGlcpa1-4DGlcpa1-4DGlcpa1-4[DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-6]DGlcpa1-4DGlcpa1-6]DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-6]DGlcpa1-4DGlcpa1-4[DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4[DGlcpa1-4DGlcpa1-4[DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-6]DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4[DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-6]DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-6]DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-6]DGlcpa1-4DGlcpa1-4DGlcpa1-4[DGlcpa1-4DGlcpa1-4[DGlcpa1-4DGlcpa1-4[DGlcpa1-4DGlcpa1-4[DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-6]DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4[DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-6]DGlcpa1-4DGlcpa1-4DGlcpa1-6]DGlcpa1-4DGlcpa1-4DGlcpa1-4[DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-6]DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-6]DGlcpa1-4DGlcpa1-4DGlcpa1-4[DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-6]DGlcpa1-4DGlcpa1-4[DGlcpa1-4DGlcpa1-4DGlcpa1-4[DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-6]DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4[DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-4DGlcpa1-6]DGlcpa1-4DGlcpa1-4DGlcpa1-6]DGlcpa1-4DGlcpa1-4DGlcpa1-6]DGlcpa1-4DGlcpa1-4DGlcpa1-6]DGlcpa1-4DGlcpa1-OH

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