Hello everyone, could anyone please help me? I am trying to add new atoms for my molecule and I am having problems with setting the AtomID on residue. What I mean is that none function (that I found) is able to change the information set on OBResidue.GetAtomID(). The logical solution would be to use the OBResidue.SetAtomID() but it is not working! For exemple:
res=atom.GetResidue() res.GetAtomID(atom) ' ' res.SetAtomID(atom,'CH2') res.GetAtomID(atom) ' ' While it should be answering 'CH2'. What I want to do is to set up the atom types of my new atom in order to use the same names that are listed on my topology. What am I doing wrong? Thanks in advance, -- *Júlio O. Amando de Barros* *Master's Student at Institute of Physics - University of São Paulo*
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