The Beer Lab Notebook

bln_snap1Today another of my apps just got through onto the store: the Beer Lab Notebook, which can be found on the iTunes AppStore. The name of this app is inspired by the title of my last new app (the Green Lab Notebook): its subject material is more or less serious, depending on your priorities. The app is designed to help record the process of creating a fermented beverage, as practiced by millions of homebrewers, myself included. Read the rest of this entry »

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Impressions of Apple’s Swift, after a bit of practice

Lately I’ve been getting my feet wet learning the latest new programming language from Apple that everyone is talking about: Swift. The short conclusion is that it’s pretty good, but unsurprisingly has quite a collection of glitches: some of them are fixable, some of them are annoying arbitrary choices that I’ll get used to, and others are probably more like design flaws that are unlikely to ever go away. I’m cautiously optimistic that the latter category is fairly short, though still too early to call it. And because Swift is such a new language – hot out of the oven, as it were – I was not inclined to rush in and start coding up anything that’s directly important to my company’s cheminformatics software stack, so instead decided to take a little detour and make a new app from scratch: something fun, that I’ve been meaning to do for ages, called the Beer Lab Notebook, written entirely in Swift, with no non-Apple dependencies. But more about that particular project in a later post. Read the rest of this entry »

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ChemSpider Mobile 2.0 is out!

AppIcon1024After a good long while in development, version 2 of the ChemSpider Mobile app is now available on the iTunes AppStore. As one would expect from an increment of the major version number, the new release is a major overhaul, starting with an entirely new aesthetic which splits the difference between the iOS 7 mojo and the contemporary branding of the Royal Society of Chemistry, which owns and operates the ChemSpider service. Read the rest of this entry »

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Sharing experiments: using ChemSpider Synthetic Pages examples and a trip down memory lane

exptshare0Now that the molsync.com service has been upgraded so that it can produce human-readable pages with experiment details generated by the Green Lab Notebook app, it is time to demonstrate some of these. The snapshot to the right shows a screen grab of a collection of experiments that were manually keyed in from the ChemSpider Synthetic Pages service. Unlike the original data, though, the schemes have been carefully constructed so that each and every atom is accounted for in the chemical structure representations, and whenever possible all byproducts are accounted for, all stoichiometric reagents are correctly balanced, and quantities are entered in a standardised form. Read the rest of this entry »

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Solvent selection in Green Lab Notebook app

gln_solventlist1The next update of the Green Lab Notebook app brings the environmental solvent properties to the selection dialog, which is a convenient way to insert solvents into a reaction scheme. Read the rest of this entry »

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Rendering of multistep experiments for export: Microsoft Word

As alluded to in the previous post, one of the priorities for the Green Lab Notebook app is to make sure that it is possible to take your painstakingly drawn and cheminformatically correct reaction schemes, and produce a manuscript-quality diagram on export. This is starting to bear fruit, as the experiment-to-vector layout algorithm has been ported to the serverside (com.mmi) framework, and can now be used as the engine for creating inline graphics for tables in a Microsoft Word document:

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Microsoft Word

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PDF Viewer

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Green Lab Notebook app now available on iTunes

gln_rxneditAfter somewhat more delay than I would have liked, the Green Lab Notebook (GLN) app is now live and available on the iTunes AppStore. The feature set that made its way into version 1.0 was crafted to ensure that editing of multistep reaction experiments and automatic calculation of green chemistry metrics are fully functional, and that importing and exporting features are complete enough to be effective. Read the rest of this entry »

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