I’m in the process of updating iBabel and one of the things I’m adding is the option to use some of the newer tools now
Tag: openbabel
One thing I’ve needed to do a couple of times recently is give an idea of how many similar compounds are available to the set
![](https://macinchem.org/wp-content/uploads/2023/03/image-64.png)
This script is no longer needed since you can now add SMILES from the “Calculate Properties” option from the Tools menu. However, it is a
An earlier script showed how to calculate molecular similarity between the first molecule in the file and all the other molecules using OpenBabel as shown