Order Matrix Calculation using SVD

NOTICE: Orderten_SVD is no longer under development.

Users should switch to REDCAT.

Order matrix calculations by singular value decomposition can be applied easily and efficienctly to the analysis of anisotropic spin interactions, i.e. residual dipolar couplings. You can download two different versions of our program from this page. The simplified version can only handle residual dipolar coupling data, and needs a minimum of five couplings as input. The full version can also handle underdetermined systems and chemical shift anisotropy data. You should only attempt to use the full version if you really need it. Make sure you read the README file before attempting to use the programs.

View a flowchart of the simplified Orderten_SVD program.

View a map file typical of Orderten_SVD output.

Terms of use: You are free to download, use, and modify this code as you see fit. If you make use of Orderten_SVD, please send us email so we have some idea who is using our software. If you publish any results from Orderten_SVD, please cite the following paper:

Losonczi, J.A., et. al., Order Matrix Analysis of Residual Dipolar Couplings Using Singular Value Decomposition, J. Magn. Res., 138, 334-342 (1999)

Download Orderten_SVD

Note: these programs have only been compiled and tested on the SGI platform.

You may also wish to acquire the free program Xmgr for mapping the distribution of the calculated alignment tensors.

Any questions or comments, send email to Judit Losonczi: jlosoncz@ccrc.uga.edu

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