Oops. AssignAtomChiralTagsFromStructure() does indeed work.

>> If your file has 3D coordinates, AssignAtomChrialTagsFromStructure 

Good to see I'm not the only one with lysdexic fnigers. Apologies for
the noise:

;)
-- 
Dimitri Maziuk
Programmer/sysadmin
BioMagResBank, UW-Madison -- http://www.bmrb.wisc.edu



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