I think that's been there forever. HC have 0 partial charge, so it is never saved, then its absence is flagged.
On Mon, Aug 24, 2015 at 10:10 AM, Otis Rothenberger <osrot...@chemagic.com> wrote: > Bob, > > I don’t have your original note, so I have to put this in a new chain. > > I’m working on tidying up model kit code, so I’ll try to do some testing > as I do this. One thing jumped out immediately: > > select *;calculate partialcharge;isosurface resolution 0 vdw color range > -.07 .07 map mep translucent;echo > > produces this error: > > > script ERROR: No partial charges were read from the file; Jmol needs these > to render the MEP data. > ---- > isosurface resolution 0 vanderWaals color range -0.07 0.07 > mapProperty >> mep << translucent > > > It appears to be limited to hydrocarbons, so I guess its the MMFF94 > assignment of zero to all atoms. A work around is possible, but I know you > don’t like work arounds. > >
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