how to judge if the structure has stereoisomer?

Hi, we want to figure out whether structure has stereoisomer or not and how many isomers. If just using chiral atom calculation, we cannot filter out those invalid structrue with symmetry axis/center. we are wondeing if it is possible to find how many possible stereoisomer of the structure by some calculation function? if yes, can this function be used in instant jchem or jchem base? 

Thank you very much

Hi,

If you want to calculate all stereoisomers of molecule or count of stereoisomers you can use the following commands:

cxcalc stereoisomers molecule.mol
cxcalc stereoisomercount molecule.mol

These functions are available in IJC or JChem via ChemTerm functions:

evaluate -e "stereoisomers()" molecule.mol
evaluate -e "stereoisomerCount()" molecule.mol

Best regards,
Laszlo

Thank you very much

which lowest version can provide this function? which licence do we need?

The Stereoisomers Plugin is available from Marvin 4.1, but we have added a major update in version 6.2. We recommend that you use the latest version.
The Isomers Plugin Group license is needed.

Best regards,
Laszlo