Hansen-lab >> Programs >> CATIA


The CATIA (Cpmg, Anti-trosy, and Trosy Intelligent Analysis) program is designed to analyze CPMG relaxation dispersion data and extract chemical exchange parameters of a two-site chemically exchanging system (A = B). Experimental relaxation dispersion curves in the form of effective transverse relaxation rates v.s. CPMG pulsing frequency are used as input for the program along with other user-defined input, such as frequency offset from the RF carrier and scalar J-coupling constants, etc.

The overall idea of the program is that the evolution matrix of the spin-system is integrated over the pulse sequence and the best-fit parameters (for example differences in chemical shift between the two exchanging sites; DeltaO) are determined by a least-squares minimization. Normally, evolution during pulses, phase cycles, longitudinal relaxation, simple cross-correlations, etc. are taken into account. Depending on the particular problem, a range of different basis sets of the spin-system and pulse-sequences can be used. For example, while analyzing a relaxation dispersion obtained by the in-phase sequence (DF Hansen, P Vallurupalli & LE Kay; 2008; J. phys. Chem B) one would normally chose a simple basis consisting of 7 elements (E, {Ix,Iy,Iz}_A,{Ix,Iy,Iz}_B), while analyzing more challenging problems such as Trosy/AntiTrosy data one would chose a more elaborate basis that also includes the distinction between Trosy and AntiTrosy.

A manual of the program is not available yet, however, it is my hope that the examples provided in the package along with the built-in "help" command of the program will allow people to use the program. In the nearest future a (at least simple) manual will be available. Also, the FAQ of this homepage will contain the most frequently asked questions.

Contact Information

D. Flemming Hansen
Institute of Structural and Molecular Biology
University College London
London, UK
Email: d.hansen[at]ucl.ac.uk


The archive file for download includes binary code, examples etc.

All: (Examples and all binary executables)


Binary files:
    Compiled on Darwin MAC OS X 10.5.4; Intel(R) Core(TM) 2 Duo CPU, MacBookPro4,1 @ 2.4 GHz
    Darwin 9.2.2 Darwin Kernel Version 9.2.2: Tue Mar 4 21:17:34 PST 2008; root:xnu-1228.4.31~1/RELEASE_I386 i386
    gcc version 4.0.1 (Apple Inc. build 5465)
    catia_Darwin_i386 (dynamically linked)

    Compiled on Linux Red Hat 9; Intel(R) Pentium(R) 4 CPU 1.80GHz:
    Linux 2.4.20-20.9 #1 Mon Aug 18 11:45:58 EDT 2003 i686 i686 i386 GNU/Linux
    gcc version 3.2.2 20030222 (Red Hat Linux 3.2.2-5)
    catia_Linux_i686 (statically linked)

    Compiled on Fedora Core 9; Intel(R) Core(TM)2 Duo CPU E4600 @ 2.40GHz
    Linux bax2 #1 SMP Mon Aug 4 13:46:35 EDT 2008 x86_64 x86_64 x86_64 GNU/Linux
    gcc version 4.3.0 20080428 (Red Hat 4.3.0-8)
    catia_Linux_x86_64 (statically linked)

The catia program is not compiled for Microsoft (TM) Windows systems.

October 2016