How to: Overlay structures in Mercury скачать в хорошем качестве

How to: Overlay structures in Mercury

In this video you can find out how to overlay and compare crystal structures in Mercury. We will use the Multiple Structures feature to display two structures simultaneously and see how to manipulate these in the visualizer. You can find out how customise the colours of overlaid structures and how to save the results of a structure overlay for future use. In this video: -00:04 Introduction to structure overlay in Mercury -00:30 Loading multiple structures -01:06 Rotating and repositioning multiple structures in the visualizer -01:35 Launching the Structure Overlay tool and selecting atoms -02:22 Overlaying structures and assessing the results -02:42 Moving and rotating overlaid structures -03:05 Turning on packing and overlaying the packed structures -03:25 Customising the colour of multiple overlaid structures -03:38 Saving overlaid multiple structures as a Mercury Compressed XML crystal file -04:04 Try it yourself! -04:25 Summary Did you have a go at the exercise? The RMS of the overlay when four germanium atoms in equivalent positions in the two structures (NAKCIN and NAKCEJ) are used in the structure overlay is 0.156. You can grow your skills with using Mercury for visualizing structures using the free CSDU module “Visualization 101 – Visualizing structural chemistry data with Mercury” here: https://www.ccdc.cam.ac.uk/community/... Follow us on social media and subscribe to our YouTube channel. Instagram: @ccdc_cambridge X: @ccdc_cambridge Facebook: Cambridge Crystallographic Data Centre (CCDC) (ccdc.cambridge)