I don't know Egon's examples and I can only talk for the JChemPaint application/applet (=JCP) and it's code. Having said this, it's not like what you suggest. In JCP, the + is put relative to molecules (so is the arrow). The avoidOverlap method of ControllerHub can be used to layout reactions. So you would apply this method and then render as normal and you will get a nice picture (well, there may be bugs, but this is the idea). Stefan
On Friday 09 April 2010 16:13:15 Brian Gilman wrote: > Hey Egon, > > Looking at the example on your blog it seems odd that I, as a developer, > need to creating a bumping algorithm to layout the reaction in the scene. > Is that the intention of the cdk-jcp development community? For instance, > if I have 3 reactants and 5 products, I have no good way of knowing where > the "+" is going to be placed yet I have to translate the 2D coords of each > reactants and product around them... Am I missing something here? > > Best, > > -Brian > > ---- > Wingu LLC > Co-Founder > P: 877-WINGU-PH x11 > F: 877-WINGU-FX > 1 Broadway 14th Floor, > Cambridge MA 02142 > > www.wingu.com > > On Apr 5, 2010, at 10:56 AM, Egon Willighagen wrote: > > Hi CDK users, > > > > I have written up in my blog how to render molecules [0] and reactions > > [1] with the latest CDK-JChemPaint 8 code. > > > > Egon > > > > 0.http://chem-bla-ics.blogspot.com/2010/04/cdk-jchempaint-1-rendering-mol > >ecules.html > > 1.http://chem-bla-ics.blogspot.com/2010/04/cdk-jchempaint-2-rendering-rea > >ctions.html > > > > -- > > Post-doc @ Uppsala University > > Proteochemometrics / Bioclipse Group of Prof. Jarl Wikberg > > Homepage: http://egonw.github.com/ > > Blog: http://chem-bla-ics.blogspot.com/ > > PubList: http://www.citeulike.org/user/egonw/tag/papers > > --------------------------------------------------------------------------- >--- 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 > _______________________________________________ > Cdk-user mailing list > Cdk-user@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/cdk-user -- Stefan Kuhn B. Sc. M. A. Software Engineer in the Chemoinformatics and Metabolism Team European Bioinformatics Institute (EBI) Wellcome Trust Genome Campus Hinxton, Cambridge CB10 1SD UK Phone +44 1223 49 2657 Fax +44 (0)1223 494 468 ------------------------------------------------------------------------------ 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 _______________________________________________ Cdk-user mailing list Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
