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Make configuration keys for frame selections in generate_representative_snapshot #135

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dotsdl opened this issue Feb 23, 2021 · 0 comments
Open

Make configuration keys for frame selections in generate_representative_snapshot #135

dotsdl opened this issue Feb 23, 2021 · 0 comments

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@dotsdl
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dotsdl commented Feb 23, 2021

There are two cases of "magic numbers" inside fah_xchem.analysis.structures.generate_representative_snapshot, indicating which frame to use for generating the snapshot for forward and reverse cases. These should be configurable using the config file, or on the command-line.
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