Strange behaviour of getChirality

With the attached file, atom 42 displays as (R) when loaded in MarvinView with chirality on. However using the Beans and calling getChirality, it returns 48 - PARITY_EITHER. Why this inconsistency?





Also, why does atom 15 not display R or S in MarvinView like all the other chiral centers in this molecule?





Hope you can clarify, thanks!

Actually here is a simpler file with the same problem - it seems to be related to explicit H's, if I remove them I get the expected results from MarvinBeans

Thank you for the report we will examine it.


To tell the truth, the Chirality calculation is on complete revision. We are writing a new and faster code for it. It will be hopefully ready at the end of the month.