MacResearch

As you probably know Apple are dropping support for MobileMe based websites and so I’ve had to move “Macs in Chemistry” to a new web host. I’ve taken the opportunity to clean up many of the links and pages but as you can imagine after nearly 10 years of posts using multiple packages to generate the pages it was getting a little untidy.
Here is the new Macs in Chemistry site http://www.macinchem.org

I just noticed that Mobile MIM have got FDA approval for their remote medical diagnostic tool for the iPad and iPhone.

http://www.mimsoftware.com/products/iphone

I think this is the first application to get FDA approval.

The ChemDoodle Web Components have been updated.

I’ve just added friedEgg Touch to the list of 60 data analysis tools available for Mac OS X.

ChemDoodle now supports round-trip editing with the latest update of Microsoft Office 2011 (14.0.1). So make sure you update your copies of Microsoft Office 2011, and round trip editing will be available again on Mac OS X!

Round-trip editing allows you to copy figures into another application from ChemDoodle and then paste those figures from that application back into ChemDoodle to recover the objects and edit them. You do not need to save an additional ChemDoodle file.

ChemDoodle also supports round-trip editing with other applications on Mac OS X, including Mail and iWork Keynote. We are working to provide further round-trip editing support with even more applications on Mac OS X.

With the introduction of Mac OS X 10.6 Applescript gained access to the Cocoa Frameworks, unfortunately there is very little information available on how to leverage this new found capability.

Some time ago Cresset asked about interest in porting FieldView to Mac OSX, well I’m delighted to report that they have just announced that FieldView is now available for Mac OS X.
http://www.cresset-group.com/product/fieldview

The latest issue of Journal of Cheminformatics has a paper by Alex Clark describing the work that went into creating a chemistry application for mobile devices including iPad, iPhone and Blackberry.
Basic primitives for molecular diagram sketching

Alex M Clark

NWChem is a comprehensive suite of computational chemistry tools for large scale molecular simulations that are scalable both in their ability to treat large scientific computational chemistry problems efficiently, and in their use of available parallel computing resources from high-performance parallel supercomputers to conventional workstation clusters.

XQuartz was updated recently to version 2.5.3