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Author: chris

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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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Macinchem Blog Science Apps

RDKit update released

16 October 202316 October 2023 chris

2023_09_1 (Q3 2023) Release https://github.com/rdkit/rdkit/releases/tag/Release_2023_09_1 Highlights Plus lots of other changes and enhancements

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Macinchem Blog Uncategorised

Conformational Design in Drug Discovery 2024

16 October 202316 October 2023 chris

Any interesting meeting from RSC BMCS, Conformational Design has played a key role in the medicinal chemistry of small molecule clinical candidates over the last

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Hints and Tutorials Macinchem Blog Science Apps

ChemSpider webinars

16 October 202316 October 2023 chris

I just want to mention some upcoming ChemSpider webinars Chemistry data is constantly evolving. We know you need to keep up with developments to elevate

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Macinchem Blog Reviews Science Apps

SCM on Apple Silicon

14 October 202314 October 2023 chris

Software for Chemistry and Materials (SCM) are the developers of the Amsterdam Modeling Suite a very highly regarded computational suite used by academic and industrial

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Posts pagination

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  • View post by on Bluesky

    @macinchem.bsky.social 12 hours

    ProLIF updated

    ProLIF (Protein-Ligand Interaction Fingerprints) is a tool designed to generate interaction fingerprints for complexes made of ligands, protein, DNA or RNA molecules extracted from molecular dynamics trajectories, docking...

    https://macinchem.org/2026/07/29/prolif-updated/
  • View post by on Bluesky

    @macinchem.bsky.social 1 day

    The website for RSC CICAG Quantum Computing in Chemistry: Current Capabilities and the Road to Utility at Burlington House, London, UK on 19th November has been updated. Includes links for abstract submission, registration and bursaries. registrations.hg3conferences.co.uk/hg3/frontend...
  • View post by on Bluesky

    @macinchem.bsky.social 1 day

    Review of Burrete

    How often have you found a structure file on your desktop and wondered what it contained? You could open it in the relevant software application but one of the...
  • View post by on Bluesky

    @macinchem.bsky.social 1 week

    Charity walk for MS Society

    In 2020 my wife Mary died from Multiple Sclerosis. Her brother used to regularly do the MS society walks, sadly he died this year so I'm taking over and...

    https://macinchem.org/2026/07/21/charity-walk-for-ms-society/
  • View post by on Bluesky

    @macinchem.bsky.social 2 weeks

    RSC CICAG Distillate Now Available

    The Summer 2026 edition of the CICAG Distillate has been published and can be downloaded from the CICAG website http://www.rsccicag.org/newsletters.htm. This CICAG Distillate...

    https://macinchem.org/2026/07/17/rsc-cicag-distillate-now-available/

Recent Posts

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  • Charity walk for MS Society
  • RSC CICAG Distillate Now Available
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