Materials Informatics and Abstract Graphics

The Journal of Chemical Information and Modeling just published some of my work with my colleagues from UC: Berkeley. The article concerns the abstract depiction of voidspace topologies in three-periodic nets, such as zeolites and metal organic frameworks. You can obtain the article here.
At iChemLabs, we strive to push the limits of contemporary software into [...]

Search your computer for long lost chemicals

ChemDoodle 3 contains a new widget to allow you to search your hard drive and any attached storage devices for chemical structures. With the ability to interpret at least 21 chemical file formats listed below, you will be able to find the old files you thought you lost a long time ago and edit them [...]

ChemDoodle 3 can create dynamic web content

ChemDoodle 3 has the ability to generate ChemDoodle Web Components for you, so you do not need to master Javascript to build dynamic and interactive chemical structures and components for your web pages. Before I continue, I would like to reiterate that ChemDoodle 3 is a free upgrade to all customers that purchased ChemDoodle 1 [...]

3D ChemDoodle Web Components

We are happy to announce the release of the 3D ChemDoodle Web Components based on WebGL technology. Kevin has published a nice introduction to the new product on MacResearch. Feel free to try them out!
We have seen some nice press since the 3D ChemDoodle Web Components were released this morning. Here are a few links:

Giles [...]

Peter Ertl: Molecular structure input on the web

Peter Ertl, of JME fame, wrote a brief overview of the trend towards web-based chemical applications in the open Journal of Cheminformatics. He describes ChemDoodle Web Components in the section titled Future of Molecule Editing on the Web:

“Another interesting cheminformatics JavaScript application is a collection of components called ChemDoodle (37); this includes 2D and 3D [...]

iPad Development

We have received a few emails asking us to provide ChemDoodle on the iPad. We have had several internal discussions since the unveiling of the product, and I regret to state that we will not be providing ChemDoodle on that platform anytime soon. However, we are continuing to research tablet and hand-recognition technologies relevant to [...]

Spectroscopy + ChemDoodle 3

We certainly have been busy with ChemDoodle 3 development as its release approaches. One major new capability of ChemDoodle 3 is the inclusion of spectroscopic content. The JCAMP specification has been implemented so Mass Spectrometry, Infrared Spectroscopy and Nuclear Magnetic Resonance Spectroscopy output can be loaded and manipulated. Additionally, of the new widgets added, one [...]

ChemDoodle + Ubuntu 9.10

We have tested ChemDoodle with the new Ubuntu 9.10 release and everything works as expected. As always, when there is a new operating system update, ChemDoodle will continue to work for you. On a side note, we are continuing to develop ChemDoodle 3 on schedule and it is very impressive. ChemDoodle 3 will be a [...]

ChemDoodle Web Components now work in Internet Explorer!

Thanks to the talented developers at Google, the ChemDoodle Web Components now work wonderfully in Microsoft Internet Explorer. Google now hosts Google Chrome Frame, a free (and easy to install) IE add-on that provides full support for the HTML 5 specification. With this add-on, the ChemDoodle Web Components now work in all major browsers on [...]

Protein Data Bank Demo and Canvas Technology Analysis

Kevin published a nice article on the javascript/Canvas technology over on MacResearch, complete with a step-by-step walkthrough on how to quickly put together a rich web application with the ChemDoodle Web Components. The article provides a thorough analysis of the Canvas technology, its future and how you can benefit from the free ChemDoodle Web Components. [...]

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