PyMOL 3.0 New Features

28 March 202428 March 2024 chris

An excellent brief introduction to PyMOL 3.0.

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@macinchem.bsky.social 3 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...
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@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...
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@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...
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@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/
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@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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