Exception during cxcalc ASA

Hi,

I get an exception (see stack trace) when running "cxcalc asa bla.smi" on the attached smiles file. Do you know what may be the reason? Any quick way to filter out problematic molecules?

Thanks for your help,

Christian

Hi Christian,

I could not reproduce the issue with our latest cxcalc version (5.9.1).

Which cxcalc version did you use to calculate ASA?

Regards,

Viktoria

Hi Viktoria,

that is good to know. I just noticed I was still using version 5.2.2. Time to upgrade...

Thanks,

Christian