1 / 11

ChemAxon for Developers

ChemAxon for Developers. Ferenc Csizmadia. 2008 November – Last updated: 2010 April. API and Compatibility. Java API ( Marvin GUI included) Marvin Applets for web applications Native .NET solution ( Marvin GUI included) API from SQL: JChem Cartridge for Oracle

zita
Download Presentation

ChemAxon for Developers

An Image/Link below is provided (as is) to download presentation Download Policy: Content on the Website is provided to you AS IS for your information and personal use and may not be sold / licensed / shared on other websites without getting consent from its author. Content is provided to you AS IS for your information and personal use only. Download presentation by click this link. While downloading, if for some reason you are not able to download a presentation, the publisher may have deleted the file from their server. During download, if you can't get a presentation, the file might be deleted by the publisher.

E N D

Presentation Transcript

  1. ChemAxon for Developers Ferenc Csizmadia 2008 November – Last updated: 2010 April

  2. API and Compatibility • Java API (Marvin GUI included) • Marvin Applets for web applications • Native .NET solution (Marvin GUI included) • API from SQL: JChem Cartridge for Oracle • SOAP interface (Python, C, .NET, ... over SOAP) • AJAX interface (Marvin GUI included) • Instant JChem highly configurable + Java API • Sharepoint integrationunder development • Integration: Pipeline Pilot, KNIME, Spotfire, ...

  3. Java API • Direct manipulation of structures • Format conversions, name<=>structure, image generation • Structure searching with/without DB access • Standardization of structures • Property calculations • Reaction modelling (enumeration) • Clustering • Sketcher, 2D/3D viewers (Marvin family) • Etc JChem API

  4. Marvin Applets for Web Applications • All relevant browsers (IE, FF, Safari, ...) • Manipulation from HTML page (from JavaScript) • Catching drawing events in JavaScript • Can be used from .NET applications using the web browser control Marvin demo MarvinSketch Applet Examples MarvinView Applet Examples MarvinSpace Applet Examples

  5. Native .NET Solution • Translating the non-GUI elements to Java binary to .NET binary (using IKVM) • Building a thin .NET GUI for Marvin and other tools over the core. Advantages • Pure .NET solution, Java is not needed to be installed • No license issue • No performance overhead of proxying

  6. JChem Cartridge for Oracle • API from Oracle SQL • All features needed for structure handling and searching • Fast searching, insertion, and indexing • Special features: • Standardization of structures is tied with structure tables • Property calculations • Format conversions, name<=>structure, image generation • Reaction and Markush based structure enumeration • Markush libraries in structure tables (coming soon)

  7. SOAP Interface • Web services interface to most functionalities • Bridges to Python, C, Perl, .NET, Java using WSDL • Enables both remote and local access to ChemAxon functionalities

  8. AJAX GUI • AJAX components for web applications • Customization using CSS and XSL • Accesses SOAP interface • Structure searching, database handling example • Fast and rich GUI • Floating windows • Scrolling through large database without paging • Marvin Applets are integrated

  9. Instant JChem for Developers • Sharable forms, queries, lists • URL-s to sharable items - Demos • Instant JChem API

  10. Integrations Several software vendors integrated ChemAxon components • Pipeline Pilot • KNIME (by Infocom) • Spotfire • Aureus • Integrity (Thomson) • Others: (Agilent, Tripos, Symyx, Deltasoft, GVK, Wiley, Genedata, Contur, Inforsense, Kinematik, Houghton Mifflin, Kelaroo, Patcore, Cengage, Prentice Hall, Crossfire Beilstein, etc)

  11. Thank you for your attention!

More Related