[Rdkit-discuss] MMFF Atoms type definitions
Open-Source Cheminformatics and Machine Learning
Brought to you by:
glandrum
From: Omar H. <oma...@gm...> - 2020-03-16 08:28:16
|
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 |