Simplify PDB reader and add docs #663
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Co-authored-by: Jacob Wilkins <[email protected]> Signed-off-by: Maciej Bartkowiak <[email protected]>
MBartkowiakSTFC
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Feb 11, 2025
Will add the test to ensure it keeps working before merging though |
|
Gromacs test added in #671 |
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Description of work
MinimalPDBReader.MinimalPDBReader.find_atomsinto a generator.Fixes
General cleanup of
MinimalPDBReaderTo test
Should be no functional changes.