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/> sbow...@hwi.buffalo.edu<mailto:sbow...@hwi.buffalo.edu> 716-898-8623 From: CCP4 bulletin board <CCP4BB@JISCMAIL.AC.UK> on behalf of "Hough, Mike" <maho...@essex.ac.uk> Reply-To: "Hough, Mike" <maho...@essex.ac.uk> Date: Wednesday, May 2, 2018 at 11:14 AM To: "CCP4BB@JISCMAIL.AC.UK" <CCP4BB@JISCMAIL.AC.UK> 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
