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CIF improvement #129

Merged
merged 6 commits into from
Aug 31, 2023
Merged

CIF improvement #129

merged 6 commits into from
Aug 31, 2023

Commits on Aug 3, 2023

  1. patching mmtf reader for pyodide

    @stefdoerr
    stefdoerr committed Aug 3, 2023
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  2. conversion to openFF molecule

    @stefdoerr
    stefdoerr committed Aug 3, 2023
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  3. update readme

    @stefdoerr
    stefdoerr committed Aug 3, 2023
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Commits on Aug 31, 2023

  1. writing original residue in CIF file as well as protonated version

    @stefdoerr
    stefdoerr committed Aug 31, 2023
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  2. updated test file

    @stefdoerr
    stefdoerr committed Aug 31, 2023
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  3. fix CIF reader to handle dots

    @stefdoerr
    stefdoerr committed Aug 31, 2023
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