On 12/03/2013 03:11 PM, Yoel wrote: > Craig, > > Thanks a lot for this. I do not know the smile notation in details > however as a chemist I’m pretty sure I understand chirality. If I > understood your article I see that explains how chirality is > represented in smile notations but I still don’t see how do you know > what chirality to represent starting from a mol file lets say. I > thought that was what Dimitri was asking.
Thank you Yoel. Yes, my problem is, if I knew where R/S & E/Z are already I wouldn't be asking OB to find them for me. -- Dimitri Maziuk Programmer/sysadmin BioMagResBank, UW-Madison -- http://www.bmrb.wisc.edu
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