MDL Enhanced Stereo Representation

Hi,


I am using MDL Enhanced Stereo Representation to generate molefile; however, my 3D conversion software does not support v3000 mol/sdf format. Is there a way to use MDL Enhanced format which generates old molfile format?





Thanks,





Yuhmei Lin

Hi Yuhmei,





No. MOLFile is capable to store the enhanced stereochemical features only in its extended format (V3000). For more details please refer to page 5 of the following white paper:





http://www.mdl.com/solutions/white_papers/downloads/public/Enhanced_Stereochemical_Representation.pdf





"The stereogenic centers and their associated stereochemical groups are identified within a V3000 molfile, the format of which has been extended to accommodate this information."





Best regards,





Akos