schrodinger / coordgenlibs

Schrodinger-developed 2D Coordinate Generation
BSD 3-Clause "New" or "Revised" License
42 stars 28 forks source link

Coordinates for molecule are all NaN #109

Open greglandrum opened 2 years ago

greglandrum commented 2 years ago

The coordinates generated for this molecule are all NaN: C1C=CC=C2C1=CSC=C3C(=O)OOOC(=O)C(=CC(=O)N3)OC2=O This was the molecule which caused the crash in #106