how to draw a supramolecular cage ?

 

Hello,

in Marvin Sketch, what is the best way to represent a supramolecular cage like the one enclosed ?

Is there some templates like this planned in the future ?

Thanks,

Vincent

Hello Vincent,

There is no template to draw super-molecular cages, however you can draw them to drawing their fragments and cleaning them in 3D after when you join this fragments. I am sending the molecule from your picture in mrv format.

Best Regards,

Efi

Dear Efi,

thank you for your kind answer.

However, this solution is not really satisfying : it is really difficult to identify which compound has been obtained by drawing this way.

My question is if I send you a set of templates for coordination chemistry (bipyramides, etc...), would you be able to add them to the "Template Library" ? Even if ligands and metals are different each time, is it possible at least to have a template as a core to draw easily ?

Thank you for your help,

Vincent

Dear Vincent,

If the templates which you send as in structure file formats (mrv, mol), either we can add them into our template set or I can send you a documentation how you can use them as "custom" templates.

Best,

Efi