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Category: Hints and Tutorials

Tutorials, Hints, Tips and Tricks

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Hints and Tutorials Vortex Scripts

Vortex Script to add 2D depiction of 3D structures

11 March 20237 May 2023 chris

This script is no longer needed since you can now add SMILES from the “Calculate Properties” option from the Tools menu. However, it is a

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Hints and Tutorials Vortex Scripts

Vortex script to Calculate molecular properties using MayaChemTools

11 March 202318 May 2023 chris

In previous scripts I’ve shown how to use a couple of command line applications to calculate physicochemical properties. In this tutorial we will use a

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Applescript Hints and Tutorials Reviews Science Apps Software Reviews

A Review of ChemDraw 17

9 March 202326 October 2023 chris

ChemDraw is a very established chemical drawing package that probably sets the standard for publication quality chemical drawing. However, on the Mac platform in particular I

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Hints and Tutorials Other Tips Science Apps

ChemDraw Advanced User tips

9 March 202324 May 2023 chris

If you are a regular user of ChemDraw you may be aware of the keyboard shortcuts that enable to quickly enter chemical structures.In fact there

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Applescript Hints and Tutorials Other Tips

Combining PDFs using an Automator Workflow

6 March 202318 May 2023 chris

Today I was sent a license agreement as a 6 page pdf file, I was asked to sign the document and send it back. All

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Hints and Tutorials Other Tips

Preview Tips

6 March 202311 May 2023 chris

PDF seems to have become the standard for online distribution of publications, this is despite many obvious limitations. In particular from the point of view

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Applescript Hints and Tutorials

Applescript Copy File to MobileMe and Create email message

6 March 202326 October 2023 chris

MobileMe is no longer available but this script could be modified to save in other online storage facilities. Whilst Apple now allow you to send

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Applescript Hints and Tutorials

Applescript and Unix

6 March 202326 October 2023 chris

Beneath the beautiful Mac OS X interface lies an industrial-strength UNIX system, many of the key UNIX-based scientific applications are now available under Mac OS

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Applescript Hints and Tutorials

Getting started with AppleScript

6 March 202326 October 2023 chris

This is the first of what will hopefully be a series of tutorials on Apple’s own scripting language Applescript. I should perhaps begin with a

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Hints and Tutorials Vortex Scripts

Vortex script using Openbabel for similarity searching

6 March 202315 May 2023 chris

An earlier script showed how to calculate molecular similarity between the first molecule in the file and all the other molecules using OpenBabel as shown

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