On Fri, Jan 14, 2011 at 10:54 PM, Robert Hanson <[email protected]> wrote: > I see, so you need the intermediate stage, not the actual model. one problem > was that "openClientFile" was a misnomer -- clearly the actual file by then > is long closed.
Indeed. > Where are you getting the AtomSetCollection from? Well, right now, from nothing much, but we hope to change that again. There used to be a bridge between the CDK data model and Jmol... that is, there was a CDK implementation of AtomSetCollection. This allowed CDK data to be directly visualized in Jmol... But due to other priorities, I never got around to updating that bridge for more recent Jmol releases, up to the point that this now no longer seems possible... Right now, I have commented out the code in Bioclipse, but will need to check if this breaks anything in the upcoming 2.6 release. I will report soon. We also want to split how we handle various chemical types: small molecules, protein, crystals... I think I'll do that first. That would also simplify any resurrection of that old functionality... Egon -- Dr E.L. Willighagen Postdoctoral Researcher Institutet för miljömedicin Karolinska Institutet Homepage: http://egonw.github.com/ LinkedIn: http://se.linkedin.com/in/egonw Blog: http://chem-bla-ics.blogspot.com/ PubList: http://www.citeulike.org/user/egonw/tag/papers ------------------------------------------------------------------------------ Protect Your Site and Customers from Malware Attacks Learn about various malware tactics and how to avoid them. Understand malware threats, the impact they can have on your business, and how you can protect your company and customers by using code signing. http://p.sf.net/sfu/oracle-sfdevnl _______________________________________________ Jmol-developers mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-developers
