Hello everyone,
I need to find the symbolic atom types of the Merck force field in order
to create inputs for a Monte Carlo code (http://towhee.sourceforge.net/)
as indicated in this example
(https://sourceforge.net/p/towhee/code/HEAD/tree/Examples/Isobaric_Isothermal_Ensemble/MMFF94_Ethyleneoxide/towhee_input).
As far as I can see, rdkit currently only provides the numerical MMFF
atom type via GetMMFFAtomType for each atom. Is there a convenient way
to get the symbolic ones (as the MC code requires them)?
Thanks and Regards
Stefan
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