Related Experiment Video
Updated: Aug 6, 2026

Spatial Separation of Molecular Conformers and Clusters
Published on: January 9, 2014
Spherically averaged phased translation function and its application to the search for molecules and fragments in
1Department of Chemistry, University of York, Heslington, York YO1 5DD, England. alexei@ysbl.york.ac.uk
Abstract:
The molecular-replacement method has been extended to locate molecules and their fragments in an electron-density map. The approach is based on a new spherically averaged phased translation function. The position of the centre of mass of a search model is found prior to determination of its orientation. The orientation is subsequently found by a phased rotation function. The technique also allows superposition of distantly related macromolecules. The method has been implemented in a computer program MOLREP and successfully tested using experimental data sets.
Related Concept Videos
¹³C NMR: Distortionless Enhancement by Polarization Transfer (DEPT)
NMR Spectroscopy: Chemical Shift Overview
For instance, the proton...

