Hi,
I am changing the value of a property in a mol object in a SD supplier and
I see the results below. I can only change the value of the property when I
make an 'intermediate' variable. I don't understand why this is the case
and is there a way I can directly change the value in the molecules in the
supplier without doing this intermediate step?
thanks
Chris
Chem.RWMol(molsin2[0]).GetProp('PUBCHEM_ATOM_DEF_STEREO_COUNT')
'0'
Chem.RWMol(molsin2[0]).SetProp('PUBCHEM_ATOM_DEF_STEREO_COUNT', str(5))
Chem.RWMol(molsin2[0]).GetProp('PUBCHEM_ATOM_DEF_STEREO_COUNT')
'0'
xx = Chem.RWMol(molsin2[0])
xx.GetProp('PUBCHEM_ATOM_DEF_STEREO_COUNT')
'0'
xx.SetProp('PUBCHEM_ATOM_DEF_STEREO_COUNT', str(5))
xx.GetProp('PUBCHEM_ATOM_DEF_STEREO_COUNT')
'5'
Chem.RWMol(molsin2[0])
<rdkit.Chem.rdchem.RWMol object at 0x00000000061A6818>
>>> xx
<rdkit.Chem.rdchem.RWMol object at 0x00000000061A6728>
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