Macs in Chemistry

Insanely Great Science

Updates

 

A few applications have been updated over the week or so.

Wizard Pro for Mac has been updated to version 1.7.0 highlights from the update include:-

1-click Data Refresh: Suppose you've imported and cleaned your data, perhaps built a few models -- and then your data changes. Now, thanks to the new "Refresh" button in the toolbar, you can instantly update all of your analyses using fresh data from the original source. Customize how columns are matched up with a convenient popover, and feel free to move or rename the source data file on your computer -- Wizard will automatically keep an eye on it. Command-R to refresh the data, Command-E to configure the link.

Revamped menu system: Wizard has a new modular architecture that means you'll only see menus relevant to what you're doing -- that is, Raw Data, Pivot, Summary, Model, and Predict each have their own menu now. Most of the menus are more concise, so you can find what you're looking for faster.

JSON support: by popular request, Wizard 1.7 can import JavaScript (JSON) data files. Make sure your data is encoded as an array of objects and Wizard will do the rest. Export any table or result as JSON, too.

There is a review of Wizard Pro here.

Plot2 a scientific 2D plotting program designed for everyday plotting, it is easy to use, it creates high quality plots, and it allows easy and powerful manipulations and calculations of data. The latest update fives and export bug.

MyScript Calculator for iOS, fixes problems with tutorial being played repeatedly and a drag and drop bug.

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Scripting Vortex 25

 

Whilst most of the Vortex scripts mentioned on this site to date involve chemical structures we should not forget that Vortex is an excellent general data analytics tool and the data set does not have to include any molecular structures. Recently I was asked about the number of publications associated with a particular potential therapeutic target and it struck me that Vortex might actually be an excellent tool to investigate this.

Read More..

tut25result

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Cymbol added to MobileScience

 

Cymbol is an iPad app providing fast, easy access to symbols, special characters, and scripts used in scientific writing. The application includes full sets of subscript and superscript numbers used in math, chemistry, and physics documentation. Cymbol also provides extra functionality for the iPad. A snippet editing and management tool, the app has been designed by writers for writers, providing fast, easy access to special characters not currently available on the iPad’s onscreen keyboard. You can also, put and save a variety of enhanced character sequences to the scratch pad and then paste into scientific publications.

cymbol

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PYMOL under Yosemite

 

Reading through the discussion on Scientific Applications under Yosemite it seems some people are having problems with PYMOL, I thought I'd mention that installation of PYMOL using Homebrew is included on the page describing how to set up a Mac for Cheminformatics. The page also describes how to install a wide range of other useful tools.

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New playgrounds in Swift

 

The latest entry on the Swift blog highlights additions to the playgrounds within Xcode 6.3 beta 3.

Playgrounds are now represented within Xcode as a bundle with a disclosure triangle that reveals Resources and Sources folders when clicked. These folders contain additional content that is easily accessible from your playground’s main Swift code. To see these folders, choose View > Navigators > Show Project Navigator (or just hit Command-1)

There is an example playground that calculates Mandelbrot set which looks like fun to play with.

mandlebrot

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