Hi all,
according the manual, the C++ signature of the Python function:
UFFOptimizeMolecule()
should be:
int UFFOptimizeMolecule(RDKit::ROMol {lvalue} [,int=200 [,double=10.0 [,int=-1
[,bool=True]]]])
However, I cannot find the header file of this function anywhere in the
2012.03.1 distribution.
Any hints?
Thank you,
Hans
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