sizeineb

Hi Tristan, Thank you very much for your fast reply. I didn't know that calculations can take a lot of time. Meanwhile, I tried to cut my molecule into two...

Thank you very much for your help and consideration, Tristan. Here are the smiles code of the molecule that fails: Clc1c(c2nc(C(=O)N(C(CC)C)C)cc3c2cccc3)cccc1 And here is a 3D picture of the molecule:...

Yeah! This is just the fragment

It's working. Thank you very much, Tristan.