On Tue, Apr 7, 2009 at 5:26 PM, gilleain torrance <[email protected]> wrote: > On Tue, Apr 7, 2009 at 3:57 PM, Aidar Mahmutov <[email protected]> wrote: >> Is it real to take Jmol as a basis for editor? Add, delete, create atoms. >> Construct multiatomic structures, manipulate them. Fill some space >> with same atoms... I'm interested mainly in crystallography. May be someone >> can manage or help in this way. What is needed, time for >> realising it? > > Is a 3D editor realistic? > > Well, for example look at Avogadro (or pymol), which allow the user to > add/remove atoms to a 3D structure. In general this is quite hard - > but clearly it is possible.
It does not need to be very difficult, if one properly has access to selected atoms. In Bioclipse the Jmol data model would be wrapped in an IMolecule, and worst case scenario would use getCML and setCML() to update the model, replacing the last selected atom with whatever it should be replaced with... it could even be followed with a quick geometry optimization to give a sort of 'sculpt' feeling... At least for small molecules... Egon ------------------------------------------------------------------------------ This SF.net email is sponsored by: High Quality Requirements in a Collaborative Environment. Download a free trial of Rational Requirements Composer Now! http://p.sf.net/sfu/www-ibm-com _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
