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Improve performance of Topology.from_pdb with long chains #1995

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mattwthompson opened this issue Jan 13, 2025 · 0 comments
Open

Improve performance of Topology.from_pdb with long chains #1995

mattwthompson opened this issue Jan 13, 2025 · 0 comments

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@mattwthompson
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          Thanks for the example, I've reopened the issue and reproduced what you're seeing. The problem here appears to actually be in the `Topology.from_pdb` line. I think the long alkane chains make the template matching take forever because of all the symmetries.

Originally posted by @j-wags in #1929 (comment)
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