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Category: Macinchem Blog

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Macinchem Blog

AutoCAD and Maya updated to support Apple Silicon

2 April 202311 April 2023 chris

In a blog post Autodesk announced an update to AutoCAD with support for Apple Silicon https://blogs.autodesk.com/autocad/autocad-2024-mac/ >For the first time, AutoCAD for Mac 2024 and

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Hints and Tutorials Jupyter Notebook Macinchem Blog

Download multiple PDB files using a Jupyter notebook

1 April 202322 January 2024 chris

The RCSB Protein Data Bank is an absolutely invaluable resource that provides archive-information about the 3D shapes of proteins, nucleic acids, and complex assemblies that helps scientists

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Macinchem Blog Reviews Science Apps Software Reviews

Review of MOE 2018.01

22 March 20231 April 2023 chris

The 2018.01 release of Chemical Computing Group’s Molecular Operating Environment (MOE) software includes a number of new features, enhancements and changes. Mac OSX 10.6 and Windows XP

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Macinchem Blog Science Apps

Jazzy a Python library to calculate a set of atomic/molecular descriptors

22 March 20231 April 2023 chris

Just spotted a very interesting paper “Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules”  DOI.  Jazzy is a Python library that

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Macinchem Blog

UK-QSAR Spring 2023 meeting

20 March 20231 April 2023 chris

Thursday 20th April 2023 / 9:00 AM – 17:00 PM / Wellcome Genome Campus, Hinxton, Cambridgeshire The Spring UKQSAR & Cheminformatics Group Meeting will be

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Macinchem Blog Science Apps

Vienna Ab initio Simulation Package (VASP) on Apple Silicon

17 March 20238 June 2023 chris

The Vienna Ab initio Simulation Package, better known as VASP, has been compiled on Apple Silicon. The instructions can be found on GitHub https://gist.github.com/janosh/a484f3842b600b60cd575440e99455c0 The

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Macinchem Blog Science Apps

ChimeraX 1.5

16 March 20235 May 2023 chris

Available for download https://www.rbvi.ucsf.edu/chimerax/download.html Open the downloaded DMG file and drag ChimeraX to your Applications folder. Includes native versions for M2, M1 and Intel Macs.

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Data Analysis Tools Macinchem Blog Science Apps

Gephi 0.10 released

16 March 202321 June 2023 chris

Gephi 0.10.0 is here! Download it from https://gephi.org, now supports Apple Silicon, It loads much faster and complex operations such as layouts run smoother. Gephi is

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Data Analysis Tools Macinchem Blog Science Apps

pro Fit data analysis

16 March 202325 May 2023 chris

pro Fit, a macOS application for curve fitting (linear and nonlinear regression), plotting, and data analysis for macOS. It runs natively on both Apple Silicon

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Macinchem Blog

Sheffield 9th Conference on Cheminformatics 

16 March 202322 May 2023 chris

The Sheffield Conference on Cheminformatics is always one of the highlights of the calendar, it will be held at The Edge, University of Sheffield, UK,

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  • View post by on Bluesky

    @macinchem.bsky.social 4 days

    OpenADMET PXR challenge PyMOL session file

    The ability to predict ADMET (Absorption, Distribution, Metabolism, Excretion and Toxicity) properties is critical to accelerating new medicine discovery. In an effort to...
  • View post by on Bluesky

    @macinchem.bsky.social 2 weeks

    Quick Look Doctor

    In the review of Burette a Quick Look extension for chemical filetypes I wrote:- There are issues with this system, the same file type e.g. .sdf can be opened...
  • View post by on Bluesky

    @macinchem.bsky.social 2 weeks

    Raymol, Molecular visualisation for Mac, Ipad, iPhone

    One of the advantages of Apple Silicon is we are starting to see applications that take advantage of the new hardware. Raymol is a free Metal-based...
  • View post by on Bluesky

    @macinchem.bsky.social 2 weeks

    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 2 weeks

    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...

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  • Review of Burette
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