27 February 2024 – Macs in Chemistry

Molecular Simulations for Chemistry

27 February 202427 February 2024 chris

I was just looking at the fabulous lineup of speakers for the Molecular Simulations in Chemistry Meeting on 14th June 2024 at Burlington House, London,

View post by on Bluesky

@macinchem.bsky.social 1 day

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 1 day

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 days

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 3 days

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 3 days

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...

Day: 27 February 2024

Molecular Simulations for Chemistry