Mass Conversion of a Markush Library to 3D?

User b85e2e3247

12-05-2011 17:41:17

My goal is to take a Markush Enumerated library and conver the molecules to 3D in order to eventually run docking simulations on them. Is there any way to do a mass conversion to 3D? (I need these to be in .sdf or .mol for the docking program.)


Thanks

ChemAxon efa1591b5a

18-05-2011 08:06:07

Hi,


 


I reckon (based on your other posts) that by now you're familiar with molconverter, which can do this kind of mass conversion. Do you need further response to this specific question, or you have posted other questions that should be answered.


regards


Miklos