Open wangdu817 opened 1 year ago
It seems the radicals can not be generated from SIMLES, they just show the same as the close shell species: for instance: draw_smiles('CN(C=O)([CH2])') is the same as draw_smiles('CN(C=O)C'), no dot appears as a lone electron
It seems the radicals can not be generated from SIMLES, they just show the same as the close shell species: for instance: draw_smiles('CN(C=O)([CH2])') is the same as draw_smiles('CN(C=O)C'), no dot appears as a lone electron