On Wednesday 22 November 2006 23:28, Rajarshi Guha wrote: > On Wed, 2006-11-22 at 23:13 +0100, Egon Willighagen wrote: > > On Wednesday 22 November 2006 15:20, Rajarshi Guha wrote: > > > On Wed, 2006-11-22 at 09:24 +0100, Egon Willighagen wrote: > > > > Ah, better use the version in Bioclipse SVN. trunk/bc_jmol > > > > > > The link above does go to the Bioclipse SVN > > > > So, does it work for you? > > No. My previous mail explained the problem. > > It appears that AtomIterator has a single constructor that takes an > IChemModel (or IChemFile?). > > There is no constructor that takes an IAtomContainer
Ah, indeed. Sorry for being so absent. Um, yeah, you need to wrap it into a IChemFile. for example, using this code: MoleculeSet moleculeSet = new MoleculeSet(); moleculeSet.addMolecule(mol); ChemModel model = new ChemModel(); model.setMoleculeSet(moleculeSet); ChemSequence sequence = new ChemSequence(); sequence.addChemModel(model); ChemFile chemFile = new ChemFile(); chemFile.addChemSequence(sequence); See the JmolPanel in bc_jmol too. Egon -- CUBIC blog: http://chem-bla-ics.blogspot.com/ ------------------------------------------------------------------------- Take Surveys. Earn Cash. Influence the Future of IT Join SourceForge.net's Techsay panel and you'll get the chance to share your opinions on IT & business topics through brief surveys - and earn cash http://www.techsay.com/default.php?page=join.php&p=sourceforge&CID=DEVDEV _______________________________________________ Jmol-developers mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-developers
