Applications Embedding Jmol

Applications using Jmol

Jmol users, please add your favorite Java applications that embed Jmol here. NOTE: There are separate pages where you can add Web pages that use Jmol (Websites Using Jmol), and Wikis that use Jmol (Wikis Using Jmol).

• BioClipse
• CaGe - the "Chemical & abstract Graph environment", currently using an ancient version of JmolApplet (0.6.1) as one of its molecule viewers. (Old, but the developer might find time next to his regular job to extend the project. Incorporating a current Jmol version is on his wish list.)
• Molecular Workbench - A Molecular Simulation Tool
• PFAAT - Protein Family Alignment Annotation Tool.
• Spice - Spice is a DAS client for distributed annotation of protein sequences and structures. A java webstart version can be run from online.
• STRAP - Alignment Program for Proteins and workbench for protein structures
• Taverna

How to embed Jmol into an application

• a very good start is the Integration.java out of Jmol SVN.
• to see how Spice is integrating Jmol, please have a look here.
• a special page is devoted to using Jmol as 3D viewer for CDK based projects: Jmol Cdk Integration.

Most interaction with Jmol will happen by sending RasmolScript - like commands to Jmol. This is nicely documented by the Integration.java example. It is also possible to get data back out of Jmol. This can be done by accessing the JmolViewer class. This might be replaced by an Interface in the future.

One example of getting data out of Jmol is by adding a MouseListener to the Panel that contains the JmolViewer instance. e.g.

 public void mouseMoved(MouseEvent e) {
 
   int pos = viewer.findNearestAtomIndex( e.getX(), e.getY() );
   if ( pos == -1 ) { return ; }
 
   String chainId = viewer.getAtomChain( pos ) ;
   String seqCode = viewer.getAtomSequenceCode( pos ) ;
   // ... do something in your application
 }

When retreiving the "seqCode" for an Atom, the Insertion Code of PDB files is appended. Note the Jmol notation of insertion codes: e.g. 122^A, to distinguish from the Rasmol command 122A, which would select residue 122 of chain A.

Contributors

AngelHerraez, Pierocanepa, Yodah134, Ssorgatem, Mhampton, Kirby, Chris, NicolasVervelle, Pimpim, Nvcleemp, Tzontonel, Christoph.gille, Andorsch, Martin.guetlein