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pass start/stop/step to `find_ligand_atoms` + don't always transfer to memory #40

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IAlibay opened this issue Jan 24, 2022 · 0 comments

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IAlibay commented Jan 24, 2022

Probably needs a full refactor, we should be allowing folks to analyse whatever portion of the trajectory they are looking to run.

On top of that, we probably should avoid doing a transfer to memory where we can avoid it - this is horribly memory intensive.

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