PyMOL 3.0 New Features

28 March 202428 March 2024 chris

An excellent brief introduction to PyMOL 3.0.

View post by on Bluesky

@macinchem.bsky.social 22 hours

ChemDoodle Update

ChemDoodle 2D has been updated. The main focus is expanded support for inorganic compounds and complexes, including haptic bonds and multi-center attachments, their use in formula and mass calculations,...

https://macinchem.org/2026/09/20/chemdoodle-update/
View post by on Bluesky

@macinchem.bsky.social 1 week

AlvaSketcher

There a number of chemical drawing packages around that range from lightweight apps for providing structure input to database searches to large fully features packages designed to provide publication...
View post by on Bluesky

@macinchem.bsky.social 2 weeks

dock-postprocess

This looks very useful. dock-postprocess is an open-source structure-based drug design toolkit for standardizing docking results and carrying them through restrained OpenMM minimization, pose QC, protein-ligand...

https://macinchem.org/2026/09/07/dock-postprocess/
View post by on Bluesky

@macinchem.bsky.social 4 weeks

Updated Mac mini and Mac Studio

Apple have announced new Mac mini and Mac Studio machines. Mac mini has either M5 Pro chip or M6 chip M5 Pro 15‑core CPU with 5 super cores and 10 performance...

https://macinchem.org/2026/08/26/updated-mac-mini-and-mac-studio/
View post by on Bluesky

@macinchem.bsky.social 4 weeks

Installing the OpenADMET PXR anvil prediction

I had a couple of issues installing the PXR model from OpenAMET on my Apple Silicon Mac (https://huggingface.co/openadmet/pxr-chemeleon-baseline) so I thought I'd...

https://macinchem.org/2026/08/25/installing-the-openadmet-pxr-anvil-prediction/

PyMOL 3.0 New Features

Related Posts

ChemDoodle Update

AlvaSketcher