Sunday, November 22, 2015

Quick way to share interactive molecular structures and animations

Here is a neat trick I learned from @gyges01 on Twitter.  Say you want to share an interactive molecular structure or animation with someone not well versed in structural visualization tools. Here's what you do.

1. Put your file on a server like figshare and copy the link. For example:
Unfortunately, a dropbox link, which would have been even easier, does not seem to work. See below

2. Combine this link with "":

3. Email (or Tweet) the link (takes a minute to load) with instructions to start animation: right-click > animation > play

4. You can autostart the animation by uploading a "dummy" xyz file with the commands: looks like this:

jmolscript: load; animation on; animation mode palindrome;
h 0.0 0.0 0.0

2015.11.23 Update Twitter strikes again: @aminophen found the trick to making this work with Dropbox.  Change to  Example: to and use it like before:

This work is licensed under a Creative Commons Attribution 4.0

Sunday, November 1, 2015

Computational Chemistry Highlights: October issue

The October issue of Computational Chemistry Highlights is out.

CCH is an overlay journal that identifies the most important papers in computational and theoretical chemistry published in the last 1-2 years. CCH is not affiliated with any publisher: it is a free resource run by scientists for scientists. You can read more about it here.

Table of content for this issue features contributions from CCH editors Steven Bachrach, David Bowler and Jan Jensen:

Stochastic Multiconfigurational Self-Consistent Field Theory

The accuracy of semi-local functionals

Interested in more? There are many ways to subscribe to CCH updates.

Also, for your daily computational chemistry fix subscribe to Computational Chemistry Daily

This work is licensed under a Creative Commons Attribution 4.0