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normalizing phosphorus group #2

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caodac opened this issue Dec 19, 2013 · 2 comments
Open

normalizing phosphorus group #2

caodac opened this issue Dec 19, 2013 · 2 comments
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@caodac
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caodac commented Dec 19, 2013

Need to add additional rule to handle [P+][O-] vs P=O; e.g., OO[C@@H]1CCO[P@+]([O-])(N1)N(CCCl)CCCl and OO[C@@H]1CCO[P@](=O)(N1)N(CCCl)CCCl

@caodac
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caodac commented Dec 19, 2013

Actually this is an issue with stereo on P. There is already transformation that takes [P+][O-] and transforms it to P(=O).

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caodac commented Jan 4, 2014

The stereo on P is not properly set when setDim() is called.

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