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
- [ccp4bb] normal-coordinate structural decomposition (NSD) ... Hough, Mike
- Re: [ccp4bb] normal-coordinate structural decompositi... Denis Rousseau
- Re: [ccp4bb] normal-coordinate structural decompositi... Sarah Bowman
- Re: [ccp4bb] normal-coordinate structural decompositi... Sarah EJ Bowman
