very minor error in Marvin 4.0.1

A very minor correction for Marvin 4.0.1: The configuration of an atom that is stereogenic simply by virtue of the configuration of a stereocenter in two otherwise identical ligands is indicated with a lower-case r or s, not upper-case. So we might talk about (2R,3r,4S)- or (2R,3s,4S)-2,3,4-pentanetriol, but (2R,3S,4S)-2,3,4-pentanetriol is not strictly correct.

Hi Bob!





You are right if the ligands of stereocenter has only topographical differences then it should be marked 'r or 's'. Actually the recognition of topographical differences is just an experimental version, it has bugs and should improve a lot.


It will :-). The main question is the time schedule.





All the best


Andras