Automatic Assignment

This automatic backbone assignment programme uses chemical shifts from 3D assignment spectra and secondary structure prediction as its input. It can also assign the backbone using RDC data and a known structure of the protein. If you have installed MARS on your computer, then you can also access it directly via CCPNmr Analysis without having to export and re-import the data. Also available via the WeNMR Webportal.

This program subsumes the previous MATCH/ATNOS/CANDID algorithms. It uses APSY and NOESY data as its input and is then able to carry out backbone and side-chain assignment as well as NOE assignment and structure calculation.

This algorithm assigns the backbone of a protein given the sequence and peak lists from standard 3D NMR spectra.

AutoAssign is an artificial intelligence package for automating the analysis of backbone resonance assignments using triple-resonance NMR spectra of proteins. The new AutoAssign distribution automates the assignments of HN, NH, CO, CA, CB, HA, and HB resonances in non-, partially-, and fully-deuterated samples. Also available via the WeNMR Webportal.

This is a GUI based program for computer aided resonance assignment which was developed in the lab of Kurt Wüthrich.

This programme will return the most probable sequence location for a short connected set of residues in a protein given 13Cα chemical shifts (δ(13Cα)) and data restricting the φ and ψ backbone angles.