User 7c177bab3b
19-07-2011 12:12:47
There have been several older posts on the way that chiral centers are computed, whether N, P etc should be included.
e.g. CCOP(=O)(O)OC is reported as having 1 chiral center.
Is it possible to write a chemical terms expression to return just carbon atom based chiral centers?
I can use the evaluate command-line to get
carbon = filter("atno()==6");
cc = chiralCenters();
but I can't seem to do the join.
chiralCenters() does not take an atom index array, unlike charge().
Thanks
Stephen