Symyx/MDL Data Sgroup

Hello,





Can we use Symyx/MDL Data Sgroup in MarvinSketch and MarvinView?  If so, how?  If you can provide me with a concrete example that would be great!





Also, can we convert a structure with a Sgroup into SMILES?








Thanks!

Dear Charlie,








It is possible to draw Data Sgroups attached to atoms and bonds in Marvin. Select the atoms and bonds with the selection tool and choose the Add/Data… menu item from the local menu or Structure/Add/Data… from the main menu.





The Data Sgroup can be saved in Mrv and MDL MOL formats.


Exporting of Data Sgroup in Chemaxon Extended SMILES format is going to be implemented in version 5.2., which is coming soon.





Further editing of the Data S-group is available from the Edit Data… menu item in the local menu over a Data Sgroup atom/bond, or from the Structure/Edit Data menu item for a selected structure.





We will introduce graphical brackets by version 5.3. In that version attaching data to brackets will also be possible.








Best regards,


Erika.

Thanks!





Do you know when version 5.2 is going to be released?

Hi Charlie,














5.2 is planned to be released sitll in February.














Best regards,














Akos

Hello,








I am wondering if the following feature has been included in version 5.2?








The Data Sgroup can be saved in Mrv and MDL MOL formats.





Exporting of Data Sgroup in Chemaxon Extended SMILES format is going to be implemented in version 5.2., which is coming soon.








Thanks,





-Charlie

Hi,





Yes, exporting data sgroups to ChemAxon Extended SMILES is available in 5.2.





Best regards,





Akos