Re: [Jmol-developers] mmCIF support?

Thu, 16 Mar 2006 12:18:02 -0800

So I will wait to change to cif files until there is a new Jmol build, then?

Wayne


On Mar 16, 2006, at 12:04 PM, Egon Willighagen wrote:

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

-- 
PhD student on Molecular Representation in Chemometrics
Radboud University Nijmegen
GPG: 1024D/D6336BA6


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