Introducing absolute stereochemistry in MarvinView

Hi,

I have a large file of molecules in sdf with correct stereochemistry, and I would like to save them with absolute stereochemistry set. How can I force MarvinView to save the file with absolute stereochemistry flags?

Thanks,

 

Ben

Hi,

I have moved the topic to the Marvin View forum, our gui developers will answer your question soon.
Regards,

Janos

Hello,

 

Sadly there is no such option in MView, what you can do in View is edit the structure one by one and Structure -> Add -> Absolute Stereo.

Or you can try with Sketch too, but it will fail for large files. Load up your file, do the same as mentioned before, then perform a Save->All structures separately, this will set the absolute flag for every molecule (which could be misleading).

 

 The best way however is to use Chemaxon's Standardizer tool to set absolute stereo flag for the molecules. You can find more about Standardizer here.

 

Hope this helps,

Tamas Fazekas-Vígh