Macs in Chemistry

Insanely great science

 

A set of tutorials to get you started

Applescript Tutorial 1

This is the first of what will hopefully be a series of tutorials on Apple's own scripting language Applescript that I wrote for MacResearch.org. I should perhaps begin with a confession, "I'm not a programmer", by training I'm a chemist and I spent the majority of my career as a Medicinal Chemist. This might actually make me the ideal person to write this since I've always thought of Applescript as the programming language for the rest of us. Applescript is a scripting language that allows users to automate repetitive or complex tasks, or customise applications as such it is really useful for little tools or widgets that make life easier for you. In this tutorial I cover getting started, using the script editor, Applescript dictionary, folder actions and interacting with applications.
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Applescript Tutorial 2

This is the second in the Applescript tutorials written for MacResearch, in this tutorial I cover the use of Applescript interactions with the UNIX system, in particular the issues of Mac and UNIX paths and the use of shell scripts.
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Applescript Tutorial 3

This is the third Applescript tutorial written for MacResearch, reading and writing files, creation and manipulation of lists, and using ChemDraw to calculate properties.
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Applescript Tutorial 4

This is the fourth Applescript tutorial written for MacResearch, reading and writing UNIX files, dealing with missing properties, and using ChemDraw to calculate properties.
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Applescript Tutorial 5

This is the fifth Applescript tutorial written for MacResearch, creating a sub-structure searchable chemical database.
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Applescript Tutorial 6

This is the sixth Applescript tutorial written for MacResearch, rendering structures in a chemical database
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Applescript Tutorial 7

This is the seventh Applescript tutorial written for MacResearch, actually it uses a web viewer within the FileMaker database to display a web page that uses the chemdraw plugin to render the structure.
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Applescript Tutorial 8

This is the eighth Applescript tutorial written for MacResearch. Rich Apodaca has been discussing embedding molecular information in images of molecules, such as a PNG file depicting a 2D structure. As we move to a more web-centric view of the world it is apparent that much of research information will be only available via the web, whilst images of chemical structures are usually adequate for a human viewer the chemical structure cannot be indexed and subsequently searched. In a subsequent article Rich showed a method of extracting the information as text. In this tutorial I'm going to show how to use applescript to extract the information from the PNG file and then display the structure in a couple of chemical display packages in an editable form.
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Applescript Tutorial 9

This is the ninth Applescript tutorial written for MacResearch. In this tutorial we create an applescript for ChemBioDraw (aka ChemDraw) that embeds chemical information into the meta data of an image file.
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Applescript Tutorial 10

At my presentation on Applescript and UNIX I was asked how to create a droplet that accessed a UNIX application so I thought it might be useful to give a very simple example
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Applescript Tutorial 11

GeekTool is a Preference Pane (System Preferences module) for Mac OS X. It lets you display various types of information directly on you desktop. The information can be derived from a shell script or using osascript it is possible to call applescripts (or any other OSA language scripts).
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For more information on Applescript have a look at the Applescript Resources Page.