Vertical Symmetry Planes in C4v Jul 17, 2019 An interesting question was raised by a user about the placement of the vertical symmetry planes for C4v molecules in the Gallery. If we look at the BrF5 example specifically, the question becomes: should the vertical (σv) planes each pass through four atoms (the bromine atom and three of the fluorine atoms) with the dihedral (σd) planes in between or vice versa? Two possible orientations of the BrF5 molecule, relative to the x and y axes, are shown in Figure 1. ...
Updates to Symmetry@Otterbein Pages Jun 10, 2019 It has been a long time coming, but the Symmetry@Otterbein pages have been updated to a more modern format using the Angular framework, allowing greater flexibility and more frequent updates. General Updates The largest design change has been in the organization and style of the symmetry element and symmetry operation controls. Symmetry operations are now organized by class and will, therefore, correspond to the headings of the respective character table. Elements of the same class are grouped together (with the number of elements in parentheses) and an “angle down” icon that will expand to show all the elements in that class. ...
Full-Color 3D Prints of Interesting Molecules Oct 02, 2018 For the 2018 #CSD3DPrint contest, I used Mercury and the CSD Python API to generate the 3D printer files for the [Th(NO3)6]2+ structure with Th symmetry, found in the Symmetry Gallery (CSD entry GOBTAS). The model was then printed on a Prusa multimaterial printer using three different colors and a soluble support. While the process is a bit involved, this should work for virtually any structure and could be adapted to different models of 3D printers. ...
Presentation at the CCDC Sep 12, 2017 While working on sabbatical at the Cambridge Crystallographic Data Centre, I gave an overview of the Symmetry@Otterbein website, along with a demonstration of both current and new features. For what it’s worth, a link to the presentation is at https://dhjohnston66.github.io/ccdcpres/. The pages highlighted in the demo were: The Symmetry Gallery The Symmetry Challenge Crystallographic Point Groups Space Group Symmetry Enjoy!
Ten Years, One Million Visitors Apr 07, 2017 Symmetry@Otterbein recently passed one million visitors since tracking began in July 2006. Figure 1: Visitors per week versus time for Symmetry@Otterbein Almost 60% of the users come from outside the United States, with thousands of users from India, Brazil, Spain, South Korea, Taiwan, Thailand, Germany, and many other countries. An increasing fraction of users (approximately 25% in the past year) are using some type of mobile device. ...