Author Archives: martin

About martin

almost on holidays

The Power of #ChemTwitter in the age of SARS-CoV-2

One of the most notable things about the way that science is pushing back against the current Coronavirus pandemic is the way that research results are being pushed out at extraordinary rates in a mostly open manner, often with the … Continue reading

Posted in modeling | Tagged , , , | Leave a comment

Google Scholar is linking to alkaline quackery

Note: I have replaced links to the dodgy website with links to Snopes and Wikipedia instead. Google Scholar is linking to alkaline quackery Pseudoscience has no business being included in scholarly research so I was most alarmed to see this … Continue reading

Posted in literature | Tagged , , | Leave a comment

What happens when Backup apps die?

Just a short post/hint about how to get your data back from DVD backups made with Apple’s Backup.app utility. Backup was introduced in 2002 as part of Apple’s .Mac service, later MobileMe, but languished relatively unloved by the Mac community, and … Continue reading

Posted in mac, NMR, software | Tagged , | Leave a comment

A brief note about ChemDraw, Microsoft Office 2016/365 and the clipboard that breaks everything on the Mac .

Hi folks. In the continuing saga of broken round trip editing with the latest (17.1) version of ChemDraw, and Microsoft Office 2016/365 I thought I’d share with you, with permission, some communication I have had with Pierre Morieux (aka the … Continue reading

Posted in Chem, ChemDraw, mac, software | Tagged , , , | Leave a comment

ChemDraw 17.1 Update released. Micro-review of Mac version round-trip editing

Hi folks, Just got my hands on the 17.1 Release of ChemOffice Professional (Mac) and ran through my normal initial sequence of tests, i.e. Word round-trip editing. There are a bunch of changes listed in the version history as part … Continue reading

Posted in ChemDraw, mac | 9 Comments

The long and winding road to a published paper (and lovely crystal structures)

Dedicated to Professor Allan White 1938 – 2016   This years theme #ChemTogether is all about our chemistry community.  I’ve chosen this year to talk about our recent paper and how it came to be, and the people involved. This paper … Continue reading

Posted in Uncategorized | Leave a comment

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

Hands on with ChemDraw 17 Continue reading

Posted in Chem, ChemDraw, mac, software, Uncategorized | Tagged , , , | 30 Comments

Pymol 1.8.x now fetches mmCIF files by default and shows missing residues in Sequence View

Long time Pymol users will be familiar with the fetch command by which it retrieved the selected file from the Protein Data Bank (PDB). Up until version 1.8, Pymol fetched the PDB version of the file by default over the … Continue reading

Posted in Chem, mmCIF, mmCIF files, modeling, Pymol, software | Leave a comment

When in Pymol, don’t call your model “model”

Sometimes it pays to read the blurb that loads in a textport when software loads. Folks, there is an inherent problems when viewing your Swissmodel results in Pymol. Like many people I usually look away from the screen when I boot a … Continue reading

Posted in Chem, Chem_Comp, modeling, Pymol, software | Leave a comment

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

Posted in Chem, software, Uncategorized | Leave a comment