Hi Omar,
MMFF94 definitions are not encoded via SMARTS patterns. Definition are
stored in Code/ForceField/MMFF/Params.cpp (defaultMMFFDef).
You may find them here in a more human-readable form:
https://github.com/openbabel/openbabel/blob/master/data/mmffdef.par
Cheers,
p.
On 16/03/2020 08:27, Omar H94 wrote:
Dear RDKit users,
The function *GetMMFFAtomType* from the *rdForceField *module returns
a number describing the assigned atom type by the forcefield of the
queried atom. I want to get the definition of the atom type which the
number represents. I wonder if there's a dictionary or a documentation
that contains the atom type meaning or SMARTS**of each number ?
Thanks,
Omar
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