Solutions Case Studies
Download DocumentA boon to scientists and developers
MDL Draw Enterprise Edition allows sci-entists to draw and edit complex molecules and chemical reactions with unprecedented ease. A few strokes with the innovative All Purpose Drawing Tool let scientists sketch structures, assign atom properties, and apply query features-all without changing tools. Transition to the new package is a breeze for scientists, as it incorporates the familiar look and feel of MDL® ISIS/Draw chemical-drawing tools.
This figure demonstrates how scripts developed with MDL®
Cheshire can be incorporated into MDL Draw Enterprise Edition. The Enumerate stereoisomers command is added to the Chemistry menu in MDL Draw through an XML properties file with a pointer to the script location. When the Enumerate stereoisomers command is selected, the underlying script takes the structure with unmarked stereogenic centers, enumerates all the isomers, and puts the appropriate R or S label on each marked center.
For organizations, MDL Draw Enterprise Edition offers broader benefits: The package can be dropped into existing Visual Basic or Java applications, and configured for a specific workflow. The programming is simple and the effect powerful: Scientists get drawing tools tuned for their environment; unneeded features are hidden; even custom actions can be tied to tools, buttons, or menu items.
Using the Structure Clean feature in MDL Draw Enterprise Edition, scientists can instantly standardize the layout of chemical structures.
It's this range of flexibility, says Lars Barfod, executive vice president and chief business officer, that fills an important role in the marketplace. "The intuitive drawing features are already a hit with scientists," Barfod said, "but the programming flexibility will make it the standard drawing tool for custom and third-party applications."
For customers who also use MDL® Cheshire, close integration with MDL Draw Enterprise Edition opens other exciting possibilities. For instance, developers can embed scripts in MDL Draw that check structural integrity or calculate structural properties on structures as they are drawn.
MDL Draw Enterprise Edition is now available. For more information contact your sales representative or visit www.mdl.com/products/framework/isis_draw/index.jsp.
To read the complete case study, click the Download Document link near the top of the this article.
