On Thursday 16 March 2006 20:55, Egon Willighagen wrote:
> On Thursday 16 March 2006 20:37, Egon Willighagen wrote:
> > how well does mmCIF reading work? Anyone who uses this on a large set of
> > data? Ever encountered trouble? Is it save to be used for reading
> > structures from pdb.org?
>
> I found a few 'issues' with Jmol's current mmCIF reader with respect to the
> mmCIF docs on pdb.org (using 4HHB only yet):
>
> - HETATOM is neglected, so 'select ligand' is not working

Fixed in SVN. (revision 4634)

Egon

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PhD student on Molecular Representation in Chemometrics
Radboud University Nijmegen
Blog: http://chem-bla-ics.blogspot.com/
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GPG: 1024D/D6336BA6


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