> I've read your discussion about CML and Open Standards and remember that > there were some troubles with changing of CML standard. But since it's XML, > it could be easily extended. What I actually propose is to develop some > agreement between OpenBabel and CDK what names of tags and parameters are > used for mentioned purposes.
There's actually a cml-discuss mailing list. Looking through my notes about my last discussion with Peter, there are a few questions to be resolved: 1) IIRC, there are vector3, line3, and point elements. What about a "box" or "grid" element. Consider, for example an electrostatic potential or Gaussian "cube" file representing an orbital. 2) Jmol has added a scheme for "surfaces" e.g., the actual set of triangles for an orbital or other molecular surface. Is there interest in integrating into CML? 3) How would one represent a "plane" object (e.g., a visualization of a Miller plane) in CML? Cheers, -Geoff --- Prof. Geoffrey Hutchison Department of Chemistry University of Pittsburgh tel: (412) 648-0492 email: [email protected] web: http://hutchison.chem.pitt.edu/ ------------------------------------------------------------------------------ Download Intel® Parallel Studio Eval Try the new software tools for yourself. Speed compiling, find bugs proactively, and fine-tune applications for parallel performance. See why Intel Parallel Studio got high marks during beta. http://p.sf.net/sfu/intel-sw-dev _______________________________________________ Blueobelisk-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
