ChemDoodleSpectra

About the Author

Kevin Theisen is the President of iChemLabs, which funds, develops and hosts the open source ChemDoodle Web Components.

It has been a year since ChemDoodle Web Components was first released and I discuss the library's progress and goals as well as cover recent HTML5/Canvas/WebGL updates in this article. I also present the release of ChemDoodle Web Components v3.5, which features many improvements and new components to render reactions and spectra.

LigandScout Updated

LigandScout has been updated to verson 3.0. LigandScout has taken a significant leap forward with this update. The introduction of support for ligand-based pharmacophore generation, together with the capability to undertake the virtual screen within LigandScout, whilst maintaining the user friendly interface and workflow are major additions.

Terminal Tips and Tricks For Mac OS X

If you're like me and you spend most of your time working in the Terminal, you'll really appreciate this great list of Terminal Tips and Tricks For Mac OS X shared by clever users at the Super User StackExchange site.

Safari Extensions for Chemists

With Safari 5 one of the most interesting new features is the support for Extensions. If you’ve ever used Firefox or Chrome you might be familiar with these. For more details you might want to take a look at Mac OS X Tips, where there is a detailed description and links to useful Extensions.

FieldView

FieldView is a molecular viewer/editor that is designed to show molecules with their associated Field patterns and physicochemical properties.
http://www.cresset-group.com/product/fieldview

Cresset offered this as a free download for Windows and Linux users, I asked about a Mac OS X version, and here is the response:-

MacResearch Webcast on Developing Apps for iPad to Cover Papers and Mental Case

On Tuesday 6th July, 2010, at 10am US Pacific time MacResearch will broadcast a free webcast on developing apps for the iPad. MacResearch's own Alexander Griekspoor and Drew McCormack will be the guests, and will discuss the process of porting Papers and Mental Case to the iPad.

Cocoa for Scientists (XXXIV): Scrapbook of an Advanced Core Animation View

Author: Drew McCormack

At NSConference 2010 I delivered a presentation on developing the iPhone game Sumo Master using the Core Animation framework. It covered the usual bag of tips and tricks, but also the process of development, from twinkle-in-the-eye to App-Store reality.

I personally find articles and talks about the evolution of a concept particularly interesting, so I thought I would write up a similar experience I had building an advanced custom control for the study app Mental Case. The control was used in the iPad version of the app, but could just as easily be found on the Mac. (The iPhone screen would be too small.)

Poll: do you use an iPad?

With the iPhone 4 coming out soon, it's time to focus our new poll on... the iPad! We set up a very simple poll so you can tell us if you have an iPad (personal or work use) or if you plan to get one. Please answer the poll located at the bottom of the side bar.

TenGrid: share Xgrid tips on a wiki

Author: Charles Parnot

TenGrid wiki wiki is a new, open, collaborative collection of tips, techniques and faqs related to setting up and using an Apple Xgrid. You are welcome to add your own informed contributions, as there are still quite a few places that need improvement. TenGrid was started by Charlie Strauss, as a personal pet project which collates the issues he ran into setting up distributed xgrid system. It has the potential to become the best Xgrid resource available, at least a very useful complement to Apple's xgrid-users mailing list and FAQs.

ChemDoodle 3 Review

ChemDoodle 3.0 from iChemLabs is the latest update of a chemical drawing package that also provides for support for many other types of chemical data such as tlc plates, spectra, and molecular properties. It is a java application and is available for Mac OS X 10.5 and higher, Linux and Windows. On a Mac installation is trivial, simply drag the ChemDoodle folder into the Applications folder. When you first start ChemDoodle you are prompted for a license code, but it can be used for a 30 day trial with some limitations. The current price is $59.95 which is a fraction of the price of some of the competitors, and there are site licenses available. The ChemDoodle folder contains the application, a couple of resources and a 154 page user manual, and a useful keyboard shortcut guide.