GroDecoder extracts and identifies the molecular components of a structure file (PDB or GRO) issued from a molecular dynamics simulation.
BSD 3-Clause "New" or "Revised" License
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Rename function #22
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pierrepo closed 5 months ago
Could you rename the function
count_remove_ion_solvant_aux
:https://github.com/pierrepo/grodecoder/blob/938f0b949598d12c75ed759787351cf31eded44f/grodecoder.py#L593
as
find_ion_solvant
?