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Carbbuilder hangs on very large carbohydrate structures. #121

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gitoliver opened this issue Dec 14, 2021 · 0 comments
Open

Carbbuilder hangs on very large carbohydrate structures. #121

gitoliver opened this issue Dec 14, 2021 · 0 comments
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@gitoliver
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gitoliver commented Dec 14, 2021

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

@gitoliver gitoliver self-assigned this Dec 14, 2021
@gitoliver gitoliver added the bug label Dec 14, 2021
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