Advanced applications of Shelxd and Shelxe

Abstract

The programs shelxc, shelxd, and shelxe by G. Sheldrick provide a powerful pipeline for experimental phasing of various phasing scenarios, like MAD, SIRAS, or MR-SAD. They are command line programs, which is the reason why many people are discourage from using them and exploiting their power. This tutorial shows that shelx c/d/e are not very difficult to use and only little knowledge is required to solve the phase problem and create and initial poly-Alanine model and an interpretable map with very little effort. © 2013 Springer Science+Business Media Dordrecht.