Hello, colleagues! There are some parameters, which are not part of CML, but could be useful for both 2D and 3D chemical structures: 1. Custom label of atom (independent from elementType) 2. Custom color of atom 3. Background color of scene (maybe including gradient filling description)
3D-specific: 1. Custom atomic radius (in Angstroms) 2. Custom directions of cartesian axes 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. Any ideas? -- 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
