The folks at the EBI have been doing some great work on the CDK. A major effort is underway to revamp JChemPaint and part of this involves improving the rendering of 2D depictions. While not complete I rebuilt a version of the CDK 1.2.x branch with the latest rendering code from the jchempaint-primary branch and [...]
Posts Tagged ‘depiction’
Improved CDK Depiction Service
Posted in software, tagged cdk, depiction on January 14, 2009 | Leave a Comment »
Depicting SMILES Dynamically
Posted in cheminformatics, software, tagged 2d, cdk, depiction, dynamic, html, smiles on October 28, 2008 | 2 Comments »
Sometime back I was playing around with dynamic HTML and cam across a tutorial that described how to implement the dynamic suggestion feature that is commonly found on many websites (such as Google and Amazon). This set me wondering how I could use this mechanism to dynamically depict a SMILES string as I type it.
