Dr Stuart McNicholas

Tel: 01904 328257
Email: stuart.mcnicholas@york.ac.uk

Postdoctoral Research Associate

Research Interests

The CCP4MG molecular graphics program

CCP4mg is a molecular-graphics program that is designed to give rapid access to both straightforward and complex static and dynamic representations of macromolecular structures. It has recently been updated with a new interface that provides more sophisticated atom-selection options and a wizard to facilitate the generation of complex scenes. These scenes may contain a mixture of coordinate-derived and abstract graphical objects, including text objects, arbitrary vectors, geometric objects and imported images, which can enhance a picture and eliminate the need for subsequent editing.

Version 2.9.0 of CCP4MG introduces a new "Simple Display Table" which allows for much more efficient viewing of the binding sites of large numbers of homologous proteins.

Recently work has begun on a WebGL (in-browser 3D graphics) version of the program. This will allow all the features of the CCP4MG program to be used within a web browser without the need to install the software locally.

I am also assisting with the development of the CCP4i2 project (new graphical interface for the CCP4 suite of crystallographic programs): My involvement is library integration, graphical widget development.

CCP4mg screenshot

Selected Publications

  • Presenting your structures: the CCP4mg molecular-graphics software.
    S McNicholas, E Potterton, K S Wilson and M E M Noble, Acta Cryst., 2011, D67, 386-394.
  • Overview of the CCP4 suite and current developments.
    M D Winn, C C Ballard, K D Cowtan, E J Dodson, P Emsley, P R Evans, R M Keegan, E B Krissinel, A G W Leslie, A McCoy, S J McNicholas, G N Murshudov, N S Pannu, E A Potterton, H R Powell, R J Read, A Vagin and K S Wilson, Acta Cryst., 2011, D67, 235-242.

Stuart McNicholas