Skip to content

Macs in Chemistry

A site for chemists using Macs in Chemistry

  • Home
  • Blog
  • Hints and Tutorials
    • Hints and Tutorials
      • Applescript
      • Other Tips
      • Jupyter Notebook
      • Vortex Scripts
  • iBabel
  • Science Apps
  • Reviews
    • Reviews
    • Apple Silicon
    • Software Reviews
      • Reviews
      • Data Analysis Tools
        • Open Source Python Data Science Libraries
      • Spectroscopy
      • Open Source Cheminformatics Toolkits
  • Fortran on a Mac
    • Fortran on a Mac
    • News items

Month: October 2023

  • Home
  • 2023
  • October
Applescript Hints and Tutorials Macinchem Blog

Applescripts updated

29 October 202329 October 2023 chris

I’ve started adding a selection of useful applescripts, code can be copied from page or script downloaded. https://macinchem.org/category/applescript/ Applescript Description Print Clipboard This AppleScript prints

Read More
Applescript Hints and Tutorials

Retrieve chemical structure for a chemical name

29 October 202329 October 2023 chris

This simple script allows you to copy a chemical name to the clipboard and then use the Chemical Identifier Resolver service to get the corresponding

Read More
Applescript Hints and Tutorials

An Applescript droplet to generate Augmented Reality files from JMol

26 October 202329 October 2023 chris

Augmented reality is finding new applications in science, in particular the ability to enhance publications or lecture notes, and viewers can set up a free

Read More
Macinchem Blog

Cambridge Cheminformatics Network Meeting, 6 December 2023

25 October 202325 October 2023 chris

Programme Assessing Conformations of Small Molecules Against the Cambridge Structural Database Patrick McCabe, Cambridge Crystallographic Data Centre https://www.ccdc.cam.ac.uk/ SILVR: Guided Diffusion for Molecule Generation Nicholas

Read More
Fortran on a Mac Macinchem Blog

Fortran on a Mac

24 October 202324 October 2023 chris

Looking at the site searches so far this month and there is clearly a theme!! If anyone has anything they think I could add to

Read More
Macinchem Blog Science Apps

ChemDoodle 3D v7.2 Update Available

23 October 202323 October 2023 chris

The updated version of ChemDoodle 3D v7.2 includes advanced symmetry analysis features for finite sets of atoms and small molecules. A new widget is provided

Read More
Macinchem Blog Other Tips

Excel update helps scientists

23 October 202323 October 2023 chris

Whilst Excel is widely regarded as ubiquitous I avoid using it for many reasons. In particular, the “helpful” automatic formatting of data. However it sounds

Read More
Hints and Tutorials Jupyter Notebook Macinchem Blog Science Apps

BioSimSpace and sire 2023.4.0 released!

21 October 202321 October 2023 chris

Great to hear about the release of BioSimSpace and sire 2023.4.0. New features in sire include support for running alchemical relative free energy calculations directly

Read More
Macinchem Blog Uncategorised

Next Cambridge Cheminformatics Network Meeting

20 October 202320 October 2023 chris

Due to building work at CCDC the date has changed, the meeting will now be 6 December 2023, 4-5.30pm UK time, Hybrid (at the CCDC/via

Read More
Data Analysis Tools Macinchem Blog Science Apps

StarDrop for the Cloud released

19 October 202319 October 2023 chris

StarDrop is now available in the cloud via Amazon Web Services (AWS). This means that we’re now able to provide the StarDrop software as a

Read More

Posts pagination

1 2 Next

Recent Posts

  • MayaChemTools updated
  • BindFlow
  • ChEMBL 36 is out
  • chemfp 5.0 released
  • SimpleFold: Folding Proteins is Simpler than You Think
Subscribe to the RSS feed

Also now on Bluesky @macinchem.bsky.social

Bluesky feed

  • Get to this post

    @macinchem.bsky.social 2 days

    MayaChemTools updated

    https://macinchem.org/2025/10/02/mayachemtools-updated-3/
  • Get to this post

    @macinchem.bsky.social 5 days

    This looks interesting, binding free energy calculations macinchem.org/2025/09/29/b...

    BindFlow – Macs in Chemistry

    macinchem.org

  • Get to this post

    @macinchem.bsky.social 5 days

    BindFlow

    https://macinchem.org/2025/09/29/bindflow/
  • Get to this post

    @macinchem.bsky.social 1 week

    I've now included a Bluesky feed onto the website. macinchem.org

    Macs in Chemistry – A site for chemists using Macs in Chemistry

    macinchem.org

  • Get to this post

    @macinchem.bsky.social 1 week

    ChEMBL 36 is out macinchem.org/2025/09/26/c...

    ChEMBL 36 is out – Macs in Chemistry

    macinchem.org

Archives

  • October 2025
  • September 2025
  • August 2025
  • July 2025
  • June 2025
  • May 2025
  • April 2025
  • March 2025
  • February 2025
  • January 2025
  • December 2024
  • November 2024
  • October 2024
  • September 2024
  • August 2024
  • July 2024
  • June 2024
  • May 2024
  • April 2024
  • March 2024
  • February 2024
  • January 2024
  • December 2023
  • November 2023
  • October 2023
  • September 2023
  • July 2023
  • June 2023
  • May 2023
  • April 2023
  • March 2023
  • February 2023

Categories

  • Applescript
  • Data Analysis Tools
  • Fortran on a Mac
  • Hints and Tutorials
  • iBabel
  • Jupyter Notebook
  • Macinchem Blog
  • meetings
  • Other Tips
  • Reviews
  • Science Apps
  • Software Reviews
  • Spectroscopy
  • Uncategorised
  • Vortex Scripts
  • MayaChemTools updated
  • BindFlow
  • ChEMBL 36 is out
  • chemfp 5.0 released
  • SimpleFold: Folding Proteins is Simpler than You Think
All Rights Reserved 2024.
Proudly powered by WordPress | Theme: Fairy by Candid Themes.
We use cookies to ensure that we give you the best experience on our website. If you continue to use this site we will assume that you are happy with it.