> > 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?
Probably, it's impossible to standardize everything, but I think everyone would be in profit if some parameters (e.g., mentioned by me) will be shared -- Regards, Konstantin ------------------------------------------------------------------------------ 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
