On Thursday 26 October 2006 02:51, Rajarshi Guha wrote: > Hi, in the draw2d utility I currently either display all H's or no H's > at all. > > What I'd also like to do is to display H's on just the hetero-atoms. I > wrote the code to add explicit H's on heteroatoms, however when the > structure is displayed the H's are shown with explicit bonds: O-H
That is "explicit" in CDK: an actual IAtom with an IBond connected to the rest of the IAtomContainer. > What I'd like to have is OH. The Renderer2D would render such when implicit hydrogens are used. > Is this possible? Yes, no problem. Look at the Renderer2DModel. Method: setShowImplicitHydrogens(). Play a bit with the JChemPaint Edit->Rendering options. Egon -- CUBIC blog: http://chem-bla-ics.blogspot.com/ ------------------------------------------------------------------------- Using Tomcat but need to do more? Need to support web services, security? Get stuff done quickly with pre-integrated technology to make your job easier Download IBM WebSphere Application Server v.1.0.1 based on Apache Geronimo http://sel.as-us.falkag.net/sel?cmd=lnk&kid=120709&bid=263057&dat=121642 _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
