# Tripos mol2 files for molecules in this study

## Manifest
* `generate-viologen.py` - Python script to generate the Tripos mol2 file for substituted viologen from [1], using OpenEye tools
* 'viologen.tripos.mol2` - substituted viologen Tripos mol2 file
* `CB7.tripos.mol2` - cucurbit[7]uril (CB7)Tripos mol2 file

## References

* [1] http://dx.doi.org/10.1039/c2cc32871b