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(Long-term) Make minor extensions to SMIRFF format #67

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davidlmobley opened this issue Jul 20, 2016 · 1 comment
Open

(Long-term) Make minor extensions to SMIRFF format #67

davidlmobley opened this issue Jul 20, 2016 · 1 comment

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@davidlmobley
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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:

Ultimately we can accommodate fractional bond order as well: openforcefield/open-forcefield-data#9 (comment)

@davidlmobley
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id and parent_id were added in a recent PR. The other changes will still be needed.

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