I’m always delighted to highlight the efforts of small independent scientific software developers who support MacOS, iOS etc. I wrote iBabel because it was something
Category: Macinchem Blog
The blog for the website
As many suggested one of the first uses of the Apple Vision Pro would be education, Complete HeartX allows exploration of 3D models of the
An interesting post from Apple, the open source first release of Pkl (pronounced Pickle), a programming language for producing configuration. There is an introductory blog post
The Apple Vision Pro could be an interesting device for a variety of areas of science. The first I’ve heard of is CellWalk that allows
Rowan is a software platform that makes it possible to run high-level quantum chemical calculations through a web interface. In general, running quantum chemical calculations
Flare a computer assisted drug design tool from Cresset, in combines an intuitive interface to molecular visualisation, structure-activity analysis and molecular docking with a python
A previous post described Getting Ligand ID for multiple PDB files, using the PDBe API (https://www.ebi.ac.uk/pdbe/pdbe-services). The result is a csv file containing the ligand
Version 12.4.0 is a feature update for ChemDoodle 2D. Included is significant work on IUPAC naming output, support for atropisomer stereochemistry, improved and adjustable crosshair
The Protein Data Bank (https://www.rcsb.org) is an invaluable repository of 3D biomolecular structures. As of writing the database contains 214,791 structures (X-ray, Cryo-EM and NMR)
40 years ago Apple promised that 1984 would not be like “1984” with a stunning Super Bowl ad created by Ridley Scott.