View source for Applications Embedding Jmol

{{Jmol_Applications_Sections}}
=== Applications using Jmol ===

Jmol users, please add here your favorite Java applications that embed Jmol. 

(There is another [[Distributions Including Jmol|page]] for operating systems and software suites that include Jmol.)

* [http://bioclipse.net/ BioClipse].
* [http://www.mathematik.uni-bielefeld.de/~CaGe/ CaGe] ([http://caagt.ugent.be/CaGe/ mirror]) - the "Chemical & abstract Graph environment" is a collection of graph generators for GNU Linux and Mac OS X, that uses Jmol as one of its visualizers.
* [http://graphics.cs.brown.edu/research/chempad/ ChemPad] renders in Jmol 3D models calculated on-the-fly from a formula sketched by hand in a tablet PC.
* [http://homepage.mac.com/swain/Sites/Macinchem/page6/page6.html iBabel] - A GUI for cheminfomatics toolkit Openbabel, iBabel uses embeded applets to display structures.
* [http://j-ice.sourceforge.net/ J-ICE] - a Jmol web-'''I'''nterface for '''C'''rystallographic and '''E'''lectronic Properties. J-ICE can deal with CASTEP, CRYSTAL09 (as well as 06, 03 and 98), QUANTUM ESPRESSO, VASP, Wien2k, FHI-aim, CIF, PDB and many others formats. Watch some videos [http://www.youtube.com/view_play_list?p=E9BA884CFAB82840 here]. 
* [http://janocchio.sourceforge.net/ Janocchio] is an applet and application; in addition to using Jmol display capabilities, it calculates both H-H and H-C 3-bond  NMR coupling constants and NOEs from a three-dimensional structure. Â© Eli Lilly and Co. Open source and hosted af SF.
* [http://mw.concord.org/modeler/index.html Molecular Workbench] - A Molecular Simulation Tool.
* [http://pfaat.sourceforge.net/ PFAAT] - Protein Family Alignment Annotation Tool.
* [http://homepage.mac.com/eludens/proyectos/htmls/proteinglimpseen.html ProteinGlimpse] is a free widget for visualizing macromolecules retrieved from the Protein Data Bank or from local disk. It is a dashboard application for Mac OS X that uses the JmolApplet.
* [http://www.sagemath.org Sage] is a computational platform with the goal of providing a viable free and open-source alternative to Matlab, Maple, Mathematica and Magma.  It uses Jmol for its 3D interactive plotting.
* [http://www.efamily.org.uk/software/dasclients/spice/spice.shtml Spice] - Spice is a DAS client for distributed annotation of protein sequences and structures. A java webstart version can be run from online.
* [http://3d-alignment.eu STRAP] - Alignment Program for Proteins and workbench for protein structures.
* [http://taverna.sourceforge.net/ Taverna].
* [http://purl.org/utwente/e59199 TouchMol] - molecular visualization on a multi-touch table, allowing up to 4 users to interact with a molecular model using their fingers. Video clips: [http://www.youtube.com/watch?v=P741FEkwR50] [http://www.youtube.com/watch?v=C3Iuoj0GBHg] [http://www.youtube.com/watch?v=xZ9l-L672OI] [http://www.youtube.com/watch?v=BtNcYKVHJF4]

=== How to embed Jmol into an application ===

* A very good start is the [http://jmol.svn.sourceforge.net/viewcvs.cgi/jmol/trunk/Jmol/examples/basic/Integration.java?view=markup Integration.java] out of [http://jmol.svn.sourceforge.net/viewcvs.cgi/jmol/trunk/Jmol/ Jmol SVN].
* To see how [http://www.efamily.org.uk/software/dasclients/spice/spice.shtml Spice] is integrating Jmol, please have a look [http://www.derkholm.net/svn/repos/spice/trunk/src/org/biojava/spice/jmol/ here].
* A special page is devoted to using Jmol as 3D viewer for CDK based projects: [[Jmol Cdk Integration]].
* Another example: [[Programmatic Access to Jmol]]

Most interaction with Jmol will happen by sending RasmolScript - like commands to Jmol. This is nicely documented by the [http://jmol.svn.sourceforge.net/viewcvs.cgi/jmol/trunk/Jmol/examples/basic/Integration.java?view=markup 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.

====A Note on JmolStatusListener====

If your application needs to be notified of Jmol events, then you must create an interface to Jmol by implementing org.jmol.api.JmolStatusListener.  I stumbled for some time before discovering that the notifyFrameChanged() event handler must include updateComputedMenus() on the JmolPopup object.  Without this, the menu will mostly contain ghosted items.