Non-Tetrahedral Stereochemistry

Can JChem handle the stereochemistry of square planar complexes for example cisplatin? I believe cisplatin and its trans isomer can be represented in SMILES:


N[Pt@SP1](N)(Cl)Cl (cis)


N[Pt@SP1](Cl)(Cl)N (trans)





Apparently the MDL molfile can't handle non-tetrahedral stereochemistry. Is there a method in JChem to properly register and perform stereospecific searches on square planar compounds?





- Mark

Hi Mark,





Currently JChem only supports tetrahedral chirality.





Best regards,


Szabolcs

We plan to add this feature in a future version of JChem.





Szabolcs