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Day: 6 March 2023

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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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Hints and Tutorials Vortex Scripts

Vortex script using MOE to calculate properties

6 March 202321 June 2023 chris

MOE from Chemical Computing Group is probably best known as a graphical user interface to a suite of computational chemistry tools, whilst this is indubitably the means

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  • View post by on Bluesky

    @macinchem.bsky.social 5 days

    Cambridge Cheminformatics Network meeting

    The next Cambridge Cheminformatics Network Meeting is 11 November 2026, 4pm UK time at Cambridge Crystallographic Data Centre, Cambridge, UK and Online (Hybrid...
  • View post by on Bluesky

    @macinchem.bsky.social 5 days

    ChemDraft and open-source chemical drawing package

    A reader recently highlighted ChemDraft (https://chemdraft.ai). A lightweight, open-source (Apache-2.0) chemical drawing app for macOS and Windows. It is...
  • View post by on Bluesky

    @macinchem.bsky.social 6 days

    A couple of interesting posts

    I'm seeing an increasing number of useful utilities being developed using AI coding tools NISPO NISPO is an open-source, RDKit-based Python package for generating IUPAC names of molecules....

    https://macinchem.org/2026/11/02/a-couple-of-interesting-posts/
  • View post by on Bluesky

    @macinchem.bsky.social 2 weeks

    Burette Updated

    Burette is a macOS desktop app and Quick Look extension for molecular previews: Mol* 3D, xyzrender SVG, and RDKit grids. There is a review of Burette here it can...
  • View post by on Bluesky

    @macinchem.bsky.social 2 weeks

    Avogadro Updated

    Avogadro is an advanced open source molecular editor and visualization tool. Download and installation instructions are here...

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  • Cambridge Cheminformatics Network meeting
  • ChemDraft an open-source chemical drawing package
  • A couple of interesting posts
  • Burette Updated
  • Avogadro Updated
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