VincenzoChen

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Thanks! I think I may try to add this function if I can .But I don't know when exactly.

There is a protein and ligand in the system, but the ligand is in the solvent. The 2D structure of ligand are shown in picture. ![Screenshot from 2022-05-07 09-29-58](https://user-images.githubusercontent.com/40376903/167232623-51e1acf7-fe41-4e7f-b484-018066ed0bfd.png)