Alexis Rohou

icon company Genentech, Inc. icon location South San Francisco, CA

Results 2 comments of Alexis Rohou

MolFromPDBBlock fails during sanitization on valid input (BCP with substituent)

Thanks @greglandrum for attempting to reproduce this. However, you missed the part in my reproducer where I add a line to the PDB block (and a substituent to the BCP)...

Bad coordinates for some very ring-y structures

As far as I can tell from the rdkit side, this issue is still live. I don't suppose there's been progress internally on this?