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In the issue discussing the SMIRFF format (openforcefield/open-forcefield-data#9 ) we laid out a number of longer-term additions we wanted to make to the format. This is to remind us to make these changes eventually:
In the issue discussing the SMIRFF format (openforcefield/open-forcefield-data#9 ) we laid out a number of longer-term additions we wanted to make to the format. This is to remind us to make these changes eventually:
id
andparent_id
which track their originUltimately we can accommodate fractional bond order as well: openforcefield/open-forcefield-data#9 (comment)
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