Hi Sarah, Fantastic, thank you!
Best wishes, Mike On 2 May 2018, at 16:20, Sarah Bowman <[email protected]<mailto:[email protected]>> wrote: Hi Mike, Here is a link to a current NSD calculator for heme distortions from planarity available online from the Liptak Group in Vermont: http://mliptak.w3.uvm.edu/nsd.html This uses the method originally developed by Shelnutt. Hope that helps! Sarah Sarah EJ Bowman, PhD High-Throughput Crystallization Screening Center Hauptman-Woodward Medical Research Institute www.getacrystal.com<http://www.getacrystal.com/> [email protected]<mailto:[email protected]> 716-898-8623 From: CCP4 bulletin board <[email protected]<mailto:[email protected]>> on behalf of "Hough, Mike" <[email protected]<mailto:[email protected]>> Reply-To: "Hough, Mike" <[email protected]<mailto:[email protected]>> Date: Wednesday, May 2, 2018 at 11:14 AM To: "[email protected]<mailto:[email protected]>" <[email protected]<mailto:[email protected]>> Subject: normal-coordinate structural decomposition (NSD) server? Dear CCP4bbers, I would like to analyse the out of plane distortions in a heme protein structure using the normal-coordinate structural decomposition (NSD) method. This would be a way to assess e.g. ruffling and saddling distortions. At one point this was available via a web server at: http://jasheln.unm.edu/jasheln/content/nsd/nsd__welcome.htm but this no longer seems to be active. Is anyone aware if there is a new home for the server or alternatively a source of the program used? Many thanks, Mike
