Graduate School of Life Sciences

Bioinformatics and computational biology courses

CcpNmr Analysis: Macromolecular NMR assigment

Drs Tim Stevens and Wayne Boucher

Department of Biochemistry

Date: TBC
Times:
13.00-17.00
09.00-17.00
09.00-12.00

Venue: Genetics Room G12: map
Maximum number: 20
Code:

Bookings are made via the online booking form.

The CCPN team run a course to teach CcpNmr Analysis, their NMR assignment software.

The first part of the course will be a step-by-step exercise to demonstrate the general functionality of our software. This aims to familiarise the user with the graphical interface and enable them to perform most of the commonly used steps in macromolecular NMR assignment.

The second part will be dedicated to the more advanced features of the software. This will include some of the more analytical functions and output generation, such as producing distance constraints for structure calculations. Finally, we will discuss the writing of Python macros for Analysis (hopefully in an accessible manner) and how to develop software within the CCPN framework. Attendees are welcome to bring along their own NMR data if they wish.

This course assumes a basic familiarity with the principles of NMR assignment. It is not intended for those who are seeking an introduction to the subject.

Tutorial topics include:

  • Configuring CcpNmr Analysis
  • The setup and navigation of multi-dimensional processed NMR spectra
  • Peak picking and connecting peaks in related spectra
  • Semi-automated and automated assignment of protein sequence
  • Extraction of data for efficient relaxation rate analysis
  • Generation of NOE-derived distance restraints
  • Structure calculation using a web service running ARIA
  • Restraint violation analysis
  • Structure validation using the iCING web service
  • Writing Python scripts for CCPN

None of our current courses requires you to bring your own computer. However, if you want to bring a laptop and have it online we can arrange access via the University Lapwing wireless service.

* Python courses are available in this series and from the Unversity Computing Service