Re: [Open Babel] question regarding smiles string

Hi, Smile strings generated from the same molecule seem different in openbabel. > Is there any way to obtain the same smile string? > > Choosing output format .can (canonical smiles) instead of .smi would be my first choice. Best regards, Pascal --

[Open Babel] question regarding smiles string

Hi, Smile strings generated from the same molecule seem different in openbabel. Is there any way to obtain the same smile string? Best Regards! Song Kun -- Check out the vibrant tech community on one of the world's most e