Discard other conformers when packing #1111
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j-wags
approved these changes
Nov 20, 2024
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| # Possible issues writing multi-conformer PDBs with RDKit | ||
| # https://github.com/openforcefield/openff-interchange/issues/1107 | ||
| molecule._conformers = [molecule.conformers[0]] |
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This seems really simple and straightforward - I think it's unlikely to interact with an eventual fix to openforcefield/openff-toolkit#1967
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Description
May resolve #1107
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