Dear Brian,
As far as I know, the problem is that we do not have coordinates for all
the ChemComps, but Wim might know better. Meanwhile the best way of
viewing compound topology and naming is likely to be ChemBuild.
Yours,
Rasmus
> Thanks Rasmus.
>
> My second question was about downloading a chemComp file with the coords
> already in so that e.g. the Molecule->Residue Information can display it.
> Whichever page we got the xml from (not the nicely formatted one at
> http://www.ebi.ac.uk/msd/NMR/chemCompXml/other_O.3.html) had links to two
> other files also that contain the coords. I guess these are the corina and
> cactvs files from the nice page above. Any way of combining one of these
> coord files into the main ChemComp for a compound?
>
|