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Category: Applescript

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Applescript Hints and Tutorials Macinchem Blog

Using ChemDraw as input for Boltz docking

11 July 20252 March 2026 chris

A recent paper described Boltz-1: Democratizing Biomolecular Interaction Modeling https://www.biorxiv.org/content/10.1101/2024.11.19.624167v2 Boltz-1, an open-source deep learning model incorporating innovations in model architecture, speed optimization, and data processing

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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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Applescript Hints and Tutorials Other Tips

Other ways of using the exact search

12 April 202315 February 2025 chris

A Python Script At the end of the previous page on setting up and accessing a Sqlite datasets from a Jupyter notebook there was and example of

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Applescript Hints and Tutorials

Print Folder Contents Applescript

10 April 202326 October 2023 chris

I recently needed a list of all files in a particular folder, actually the folder contained sub-folders also containing files. This tedious task becomes trivial

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Applescript Hints and Tutorials

Comparing Version Numbers

10 April 202310 April 2023 chris

I’m in the process of updating iBabel and one of the things I’m adding is the option to use some of the newer tools now

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Applescript Hints and Tutorials

Search un1Chem from ChemDraw

12 March 202326 October 2023 chris

Un1Chem is a new web resource provided by the EBI, it is a ‘Unified Chemical Identifier’ system, designed to assist in the rapid cross-referencing of chemical

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Applescript Hints and Tutorials

Convert ChemDraw to Tiff

12 March 202310 April 2023 chris

ChemDraw from CambridgeSoft has excellent Applescript support. I’m sure many chemists use ChemDraw to create the structures and figures for publications, and whilst ChemDraw can

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Applescript Hints and Tutorials Reviews Science Apps Software Reviews

A Review of ChemDraw 17

9 March 202326 October 2023 chris

ChemDraw is a very established chemical drawing package that probably sets the standard for publication quality chemical drawing. However, on the Mac platform in particular I

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    @macinchem.bsky.social 6 days

    Quantum Computing in Chemistry Conference

    RSC CICAG Quantum Computing in Chemistry: Current Capabilities and the Road to UtilityThursday 19th November 2026, Burlington House, London, UK...
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    @macinchem.bsky.social 1 week

    nanoFold a Protein Folding Data-Efficiency Competition

    An interesting way to look for better biological foundation models. The core bet is simple: biological data is expensive. Text and image models...

    https://macinchem.org/2026/04/29/nanofold-a-protein-folding-data-efficiency-competition/
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    @macinchem.bsky.social 1 week

    PyChem-Pro

    I've just added PyChem-Pro to the list of cheminformatics toolkits https://macinchem.org/2023/02/17/open-source-cheminformatics-toolkits/ PyChem is a desktop chemistry application and Python library that combines molecular...

    https://macinchem.org/2026/04/27/pychem-pro/
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    @macinchem.bsky.social 1 week

    Open Source Cheminformatics Toolkits

    When I wrote the article entitled A few thoughts on scientific software one of the responses I got was that people did not know about the existence of open-source chemistry...

    https://macinchem.org/2023/02/17/open-source-cheminformatics-toolkits/
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    @macinchem.bsky.social 2 weeks

    Sweet J on Mac App Store

    Calculates the 3J coupling constant from the dihedral angle and the electronegativity of the substituents using either the Altona equation or a generalised Karplus equation. Sweet J can be downloaded...

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