> Does Resolver output a 2D or 3D tag in those columns? > > It does it properly, and Jmol reads that tag. It's just that we don't > process the file as 2D (with minimization) unless you specifically > request that.
Ah, that's new to me. I had written the oppsite in the Wiki. So is there a difference in action by Jmol depending on whether the tag reads 2D or 3D? For a plain load, or for a load filter "2D"? > Realize that just because the file is 2D doesn't mean Jmol should > modify it. That's the issue. OK, you are right, that's sensible. I'm testing 'load data ... filter "2D" ' and it's working fine, except I still seem to have problem with trisubstituted carbons -- like trimethylmethane-- the central carbon does not get its hydrogen (sample file attached) load "isobutane_2D.mol" filter "2D";
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