Unix Tips Unix commands for helping deal with very large files It also includes 2D/3D structure viewers and an interface to ChemSpotlight. IBabel - An easy to use, graphical user interface for the command line file conversion tool OpenBabel. For more information on Applescript have a look at the Applescript Resources Page. At a glance…ĪppleScripts - A variety of Applescripts that might be useful for chemists together with a series of tutorials. If you have any comments or suggestions please contact me. You might also be interested in an article I wrote on my thoughts on scientific software and a listing of open-source cheminformatics toolkits and Open Source Python Data Science Libraries One particularly population section is Comparing a MacBook Pro Apple M1 max with Intel MacBookPro for Cheminformatics/CompChem, this includes comparison using RDKIt, OpenBabel, MOE, Jupyter notebooks and Vortex. Have a look at the MacInChemBlog for the latest news, tips and comments. The links in the sidebar give access to a variety of resources that I hope you will find valuable. This site is intended to provide a resource for chemists using Apple Macintosh computers.
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