Transcript - ChemAxon
Instant JChem Introducing IJC 2.0 Tim Dudgeon June, 2007 Instant JChem is…. • • • • • • An end user desktop application… …for chemists and biologists… …that utilises Marvin and JChem… …so has powerful cheminformatics capabilities… …and data management capabilities… …in an extensible architecture. Last UGM • IJC pre-1.0 presented – Create DB from SD file – Grid view with Query • Q&A forum asked “What should come next?” – Core data management functionality • Form builder • Relational data • Multi user access • IJC 1.0 released November 2006 • Work on IJC 2.0 commenced immediately IJC 2.0 • • • • Currently beta Functionally complete - release soon Major enhancement to 1.0 Emphasis has been on: – – – – – – – Relational data Form builder Multi-user access Schema editor Improved query More robust architecture API Relational data • Support for foreign key relationships – – – – Many-to-one One-to-one Many-to-many IMPORTANT – not hierarchical data like ISIS • Data hierarchy defined using a “Data Tree” • Displayed in forms as master-detail data * Form builder • Design mode – Add/remove/position widgets – Snap to position – Bind to field(s) • Browse mode – – – – – – View data Edit data Format data Navigate Sort Selection event model Multi-user access • Multiple users can access the same Oracle or MySQL DB concurrently – Read-only, read-write, edit schema, admin roles • Uses Spring Framework’s Acegi security implementation – Configurable & customisable • Most IJC artefacts are shared with strict control over concurrent modification • Views (grid view and form view) belong to each user – Other people’s forms can be copied – Same approach will be used with queries and lists Schema editor • Allows you to manage your IJC database • Allows you to pull existing database artefacts into IJC • Many enhancements coming Query • AND and OR type queries • Relational query • Simple and advanced query builders • Will become integrated with list and query management Chemistry tools • Chemical terms – As dynamic fields – As query filters • Standardizer – For your JChem tables – As processor for files • Overlap analysis – Compare 2 JChem tables for identical/similar structures • Other JChem Tools? – Discussion to follow Chemistry tools: Chemical terms fields Chemistry tools: Standardizer Architecture & API • IJC provides robust architecture for building chemistry and biology applications • Modular nature of IJC allows you to build your own extensions • Build your application on top of IJC, not from scratch • Extensibility is at an early stage, but are committed to providing APIs and SPIs for customers and 3rd parties to use IJC 2.1 • To commence once 2.0 released • IJC team being expanded • Discussion to follow