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Category: Macinchem Blog

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Data Analysis Tools Macinchem Blog Science Apps

StarDrop Updated

7 March 20235 May 2023 chris

StarDrop 7.4. This latest release contains several new features. https://optibrium.com/downloads/StarDrop%207.4%20Quick%20Start%20Guide.pdf Core Application​: * Added the ability to colour StarDrop data sets based on property values

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Macinchem Blog Reviews Science Apps Software Reviews

ChemDoodle Review

4 March 202311 May 2023 chris

ChemDoodle 3.0 from iChemLabs is the latest update of a chemical drawing package that also provides for support for many other types of chemical data such

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Hints and Tutorials Macinchem Blog Reviews Software Reviews

ChemDoodle Web Components

4 March 202312 April 2023 chris

Introduction and Background ChemDoodle Web Components are pure javascript objects derived from ChemDoodle™ to solve common chemistry related tasks on the web. These components are powerful,

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Macinchem Blog

InChi Survey

4 March 202331 July 2023 chris

The InChi group are running a short survey to find out more about the use. It would be really helpful if you have 2-3 mins

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Data Analysis Tools Macinchem Blog Reviews Software Reviews

A Review of DataWarrior

21 February 202321 February 2023 chris

DataWarrior is a data analysis tool that understands chemistry, it provides an efficient way to search, sort and analyse structure-activity data. DataWarrior was developed at Actelion

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Macinchem Blog

MayaChemTools updated

16 February 202313 April 2023 chris

More updates to the superb MayaChemTools. A new command line script named PyMOLExtractSelection.py to extract an arbitrary PyMOL selection from a macromolecule and write it out to a

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Fortran on a Mac Macinchem Blog

LFortran

16 February 202316 February 2023 chris

LFortran is a modern open-source (BSD licensed) interactive Fortran compiler built on top of LLVM. It can execute user’s code interactively to allow exploratory work

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Macinchem Blog

6th RSC-BMCS/RSC-CICAG Artificial Intelligence in Chemistry

13 February 202313 February 2023 chris

The dates for the 6th RSC-BMCS/RSC-CICAG Artificial Intelligence in Chemistry are now set, be sure to put them in your calendar. The call for oral

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Macinchem Blog

New Website

13 February 202327 February 2025 chris

This is the new hosting for the Macs in Chemistry website. It is still under construction so there is currently incomplete content. We will be

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  • View post by on Bluesky

    @macinchem.bsky.social 4 days

    Looks interesting www.ukri.org/news/ukri-la...
  • View post by on Bluesky

    @macinchem.bsky.social 1 week

    ChemDoodle 2D v12.11 Update Available

    Version 12.11.0 is a feature update for ChemDoodle 2D. Major features include a function to generate text descriptions of figures, a fully native file chooser, improved MRV file...

    https://macinchem.org/2026/06/19/chemdoodle-2d-v12-11-update-available/
  • View post by on Bluesky

    @macinchem.bsky.social 1 week

    molar_vis — a modern molecular viewer in pure Rust

    There are a number of molecular visualisation tools available (many are now showing their age), but this looks an interesting addition A...
  • View post by on Bluesky

    @macinchem.bsky.social 2 weeks

    UCSF ChimeraX version 1.12 has been released

    The latest upsdate of the popular Biomolecular visualisation tool ChimeraX has been releasded https://www.rbvi.ucsf.edu/chimerax/download.html This update includes -...

    https://macinchem.org/2026/06/14/ucsf-chimerax-version-1-12-has-been-released/
  • View post by on Bluesky

    @macinchem.bsky.social 2 weeks

    PyChem-Pro

    I just stumbled across this when looking for something else. It looks very interesting A pure-Python desktop application and library for chemistry and cheminformatics — molecular visualization, SMILES parsing,...

    https://macinchem.org/2026/06/11/pychem-pro-2/
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