I've been playing for somewhat long time with connecting JChemPaint for 2D drawing toJmol for 3D rendering. It's over a year that I have a working prototype, but haven't released it public because I was expecting to polish it up. In fact, that's the topic of one of my presentations at BCCE next August in Denton.
A few bugs or lack of features in the Javascript API of JChemPaint have refrained my progress with this. Then, JCP v3 was started with quite a reworked engine, and I posed great expectation on it, but haven't been able to solve my pending issues with this new version, so I'm still relying on the old v2. Particularly, addition of explicit hydrogens has been a constant problem. And Jmol minimization heavily depended on the Hs being present in order to be successful. So what I have is a semimanual procedure which is not too user-friendly. I haven't yet had the chance to explore the recent addition in Jmol of calculate hydrogens, which may solve my bottleneck with JCP. I have therefore followed -but couldn't keep pace with- the recent and so very fast developments in connecting JME with Jmol, with excitement but also with a bit of dismay at having lost my chance to be "the first" ;-) Great work, Otis and Bob! My bet for JCP was based, of course, on it being open source. I guess the connection could be done at the Java level but my knowldege limited me to using Javascript. ------------------------------------------------------------------------------ _______________________________________________ Jmol-developers mailing list Jmol-developers@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-developers
