Hello, I have noticed that openbabel can return atom UFF/MMFF94 atom types, and knowing atom types is first step to compute energy or do energy minimization. However, I am still trying to find a table with all parameters and how these equations were implemented.
I have also noticed that Rdkit can return force field parameters between group of atoms (bond_params = rdForceFieldHelpers.GetUFFBondStretchParams(mol, 6, 1),angle_params = rdForceFieldHelpers.GetUFFAngleBendParams(mol, 0, 1, 2) etc). I would like to ask is it possible to find source code how these interaction terms were implemented? I understand that these equations can be implemented by reading original paper(s), but it would be helpful to access the source code od Openbabel where these interaction terms are already implemented. In addition, I have noticed that original UFF paper has some small errors or typos, so having already implemented source code would help. Thanx for help in advance.
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