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Month: October 2023

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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Recent Posts

  • Open Molecules 2025 (OMol25)
  • Datagrok platform
  • ChemDoodle Web Components v11 is Available
  • Vortex script to change display of workspace
  • AMS2025 released
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Avatar Chris Swain @macinchem ·
9 May

We now have a number of confirmed speakers for the New approaches to the treatment of Parkinsons' meeting (Wednesday, 12th November, 2025) , with a couple more just waiting confirmation. Registration is now open https://www.rscbmcs.org/events/parkinsons25/ #BMCSPARKINSONS2025

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Avatar RSC BMCS @rsc_bmcs ·
29 Apr

πŸ§ͺ Final Call: Poster Abstracts Due This Friday! πŸ§ͺ

Don't miss your chance to present at the upcoming AI in Chemistry event! We're inviting submissions for poster abstracts until Friday 2nd May!

πŸ“… Deadline for poster abstracts: Friday 2nd May, 2025
πŸ”— Submit here:…

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Avatar Chris Swain @macinchem ·
24 Apr

Using JDBC with Vortex https://macinchem.org/2025/04/24/using-jdbc-with-vortex/

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Avatar Chris Swain @macinchem ·
18 Apr

The latest update to MayaChemTools https://macinchem.org/2025/04/09/mayachemtools-updated-2/ has been updated!

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