Category Archives: Uncategorized

ChemDraw 17: Faster editing, new features, still works with Word

Hands on with ChemDraw 17 Continue reading

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Major upgrade to WebCSD – The small molecule crystal structure database

[Update 16th June: Added Note about Pymol 1.8.4] The new version of WebCSD has arrived and with it, a few new important features, such as improved substructure searching, and advanced text searching. The Cambridge Crystallographic Data Centre (CCDC) houses the … Continue reading

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New initiative: The Molecular Sciences Software Institute (MolSSI), based at Virginia Tech. via @ACSPublications

“A new computational chemistry software institute, the first of its kind funded by the National Science Foundation, aims to bring software development in the field up to speed with rapid advances in computer hardware. The Molecular Sciences Software Institute (MolSSI), based at … Continue reading

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ChemDraw 16, a second look: Running under MacOS Sierra

[Update March 1. ChemDraw 16.0.1, ChemDraw 16.0.1 press release principally addressing stability and usability issues on the Mac platform has been released.] A quick update on my earlier post. I have managed to get ChemDraw 16 running on MacOS 10.12.1 Sierra. … Continue reading

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ChemDraw 16: A first look

[Update March 1. ChemDraw 16.0.1, ChemDraw 16.0.1 press release principally addressing stability and usability issues on the Mac platform has been released.] [Update Dec 26. ChemDraw 16 is now internally approved to run under MacOS Sierra. Please read this post … Continue reading

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Why I unfollowed @scienmag

So here’s the thing. A few people have been tweeting sciencey-looking articles into my timeline of late, which come from the website scienmag.com which bills itself as Science Magazine, and the Twitter account of the same name, @scienmag with the … Continue reading

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Pymol and very large PDB files. The Zika Cryo-EM structure as a case study

One of my major research interests is the Flavivirus group of viruses. In our work at the University of Queensland we’ve been involved in developing inhibitors of viral proteins associate with Dengue and West Nile viruses. Particularly inhibitors of the … Continue reading

Posted in Chem, Chem_Comp, mac, Pymol, Uncategorized | Tagged , , | 2 Comments