-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 On Wednesday 24 March 2004 01:37, Miguel wrote: > I have been looking at the CIFReader in cdk, with an eye towards sharing > it with Jmol. > I started looking at it because I thought it would be easier to do than > CML, and I am hoping that Egon can help me with CML. > > Searching the web seems to reveal that the you spent a lot of your pre-CML > days working on CIF/mmCIF. > > The 'CIFReader' in CDK is only a partial reader.
Correct. The CIF format is copyrighted (or even patented...) and you can call a reader a CIF reader if and only if it reads the *full* spec. The CDK reader does not do that. > Egon put in comments > saying that it is ad hoc and only extracts some fields. It looks to me > like it extracts: > 1. cell data > 2. atom coordinates > 3. _symmetry_space_group_name_H-M > > Q: In the context of Jmol, would it be useful to have a reader that only > supports these items? It did not support more fields, because those were not used then... since Jmol can now display B-factor, occupency it makes sense to read those too... > The PDB offically supports/promotes mmCIF. The .pdb reader in Jmol now > extracts quite a bit of information from .pdb files. Yes, it makes sense to read those fields from mmCIF too... Egon - --- [EMAIL PROTECTED] PhD on Molecular Representation in Chemometrics Nijmegen University http://www.cac.sci.kun.nl/people/egonw/ GPG: 1024D/D6336BA6 -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.0.7 (SunOS) iD8DBQFAYUpqd9R8I9Yza6YRAikoAJ47ZzkaA2zsVLY7l5j8K7CmJBjRlQCgrb3H AfhKUPXtM3EWxf0LPVUfq7g= =xVEq -----END PGP SIGNATURE----- ------------------------------------------------------- This SF.Net email is sponsored by: IBM Linux Tutorials Free Linux tutorial presented by Daniel Robbins, President and CEO of GenToo technologies. Learn everything from fundamentals to system administration.http://ads.osdn.com/?ad_id70&alloc_id638&op=click _______________________________________________ Jmol-developers mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-developers
