On 8/7/19 1:41 PM, Geoffrey Hutchison wrote: ... > That would only happen if your 2D structure doesn't have any stereochemical > (wedge/hash) information. That wasn't the user's question.
That's why my first question was "what's your input format". Of course it has nothing to do with conversion from mD to nD structures, but if you're unaware of all the little gotchas your conversion is going to be 100% GIGO-compliant. What was that the one that made the rounds recently, 5-valence oxygen on the cover of Nature or something? -- Dimitri Maziuk Programmer/sysadmin BioMagResBank, UW-Madison -- http://www.bmrb.wisc.edu
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