An adaptation of this workflow
https://github.com/cmelab/morphct/blob/master/examples/new-acceptor-molecule-workflow.ipynb
worked for @chemicalfiend (@gwenwhite) on y6 and, because y6 and BTO have the same number of atoms, it should work for any mixture of these two. However, with some clever numpying, the code that automates the chomophore list building could be modified to handle any mixtures.
An adaptation of this workflow
https://github.com/cmelab/morphct/blob/master/examples/new-acceptor-molecule-workflow.ipynb
worked for @chemicalfiend (@gwenwhite) on y6 and, because y6 and BTO have the same number of atoms, it should work for any mixture of these two. However, with some clever numpying, the code that automates the chomophore list building could be modified to handle any mixtures.