Macs in Chemistry

Insanely Great Science

Sage mathematics software

 

Sage is a Python based free open-source mathematics software system licensed under the GPL. It builds on top of nearly 100 open-source packages: NumPy, SciPy, matplotlib, Sympy, Maxima, GAP, FLINT, R to provide a common unified interface, either as a notebook in a web browser or the command line.

In addition to a local installation it is also possible to use SageMathCloud a free service with support from the University of Washington.

I’ve added Sage to the list of data analysis tools for Mac OS X.

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Medicinal Chemistry Toolkit

 

The Medicinal Chemistry Toolkit app is a suite of resources to support the day to day work of a medicinal chemist. Based on the experiences of medicinal chemistry experts, we developed otherwise difficult-to-access tools in a portable format for use in meetings, on the move and in the lab. The app is optimised for iPad and contains calculator functions designed to ease the process of calculating values of: Cheng-Prusoff; Dose to man; Gibbs free energy to binding constant; Maximum absorbable dose calculator; Potency shift due to plasma protein binding.

The app has been designed in collaboration with the editors of the forthcoming book, The Handbook of Medicinal Chemistry: Principles and Practice, which will be published in November 2014 providing a comprehensive, everyday resource for a practicing medicinal chemist throughout the drug development process and is an ideal companion for the biannual MedChem Summer school run by the RSC.

Handbook of Medicinal Chemistry_The_Publicity

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Computable

 

I’ve just added Computable to the mobile science site. Computable brings iPython and SciPy to the iPad allowing to create, edit and run iPython notebooks on your iPad. Computable comes with full-featured SciPy stack, Numpy, SciPy, SymPy, Pandas, Matplotlib. The free download includes a series of 32 example notebooks and lectures that allow you to evaluate the application. To create or edit your own notebooks you will have to make an in app purchase to unlock the full feature set ($9.99).

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BBEdit 10.5.11 Released

 

Everybody’s favourite text editor have been updated BBEdit 10.5.11 release consists entirely of fixes for reported issues, and contains no new features.

I also saw this note about future Yosemite support.

OS X Yosemite (10.10) We cannot fully support the use of our products on beta versions of OS X. If you encounter difficulty when using the latest version of BBEdit, TextWrangler, or Yojimbo on any pre-release version of OS X Yosemite, please first verify whether the problem also occurs when running on the latest public release of OS X Mavericks (10.9); and then file a bug report with Apple using an appropriate feedback channel. They will contact us as necessary.

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EnzymeX Updated

 

The Apple Design Award winning application EnzymeX has been updated. EnzymeX is a beautifully designed DNA sequence editor that Comes with numerous helpful tools and calculators, and includes handy reference data like codon tables and amino acid tables.

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Talking to the developers they have fixed some 10.8/10.9 bugs, added gatekeeper support, and then reviewed the entire enzyme list and made quite a lot of changes as things had been updated throughout the years. In the process adding about 100 new enzymes, there is now Restriction enzyme information for almost 700 commercially available enzymes

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