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initialize mol2 function definition #864

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initialize mol2 function definition #864

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fbb127c
initialize mol2 function definition
CalCraven Jan 6, 2025
cf1786f
Add more structure for mol2 writer
CalCraven Jan 9, 2025
518c08a
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot] Jan 9, 2025
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2 changes: 2 additions & 0 deletions gmso/formats/mol2.py
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Expand Up @@ -87,6 +87,8 @@
# TODO: read in parameters to correct attribute as well. This can be saved in various rti sections.
return topology

@saves_as(".mol2")
def write_mol2()
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def _parse_lj(top, section, verbose):
"""Parse atom of lj style from mol2 file."""
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