Sorry, yes, create molfile with the CDK part, read that with Jmol... Code example... mmm... no, Bioclipse is actually behind in Jmol version...
We need to continue this on the Jmol mailing list... Egon On Tue, Mar 7, 2017 at 5:46 PM, Tim Dudgeon <tdudgeon...@gmail.com> wrote: > Pass the molfile to what? To JMol? > Is there an example anywhere? > > Tim > > > > On 07/03/2017 16:42, Egon Willighagen wrote: >> >> On Tue, Mar 7, 2017 at 5:31 PM, Tim Dudgeon <tdudgeon...@gmail.com> wrote: >>> >>> What's the state of play with rendering 3D structures with CDK? >>> I see some mention of this in the 2006 paper, but it seems to say that >>> 3D rendering is done using JMol? >> >> Yes, correct. We have had 3D viz in the CDK, with Java3D, but Jmol was >> better. >> >> There was a bridge between the APIs but the recommended approach is >> now to just pass a molfile or SMILES (depending on whether you have 3D >> coords already or not). >> >> Egon >> > -- E.L. Willighagen Department of Bioinformatics - BiGCaT Maastricht University (http://www.bigcat.unimaas.nl/) 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 ORCID: 0000-0001-7542-0286 ImpactStory: https://impactstory.org/u/egonwillighagen ------------------------------------------------------------------------------ Announcing the Oxford Dictionaries API! The API offers world-renowned dictionary content that is easy and intuitive to access. Sign up for an account today to start using our lexical data to power your apps and projects. Get started today and enter our developer competition. http://sdm.link/oxford _______________________________________________ Cdk-user mailing list Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
