Open caodac opened 10 years ago
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
[P+][O-]
P=O
OO[C@@H]1CCO[P@+]([O-])(N1)N(CCCl)CCCl
OO[C@@H]1CCO[P@](=O)(N1)N(CCCl)CCCl
Actually this is an issue with stereo on P. There is already transformation that takes [P+][O-] and transforms it to P(=O).
P(=O)
The stereo on P is not properly set when setDim() is called.
Need to add additional rule to handle
[P+][O-]
vsP=O
; e.g.,OO[C@@H]1CCO[P@+]([O-])(N1)N(CCCl)CCCl
andOO[C@@H]1CCO[P@](=O)(N1)N(CCCl)CCCl