MARS

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A robust software for automatic NMR chemical shift assignments of the protein backbone [1]. The program is not tied to the type of NMR experiments used to obtain the input data.

Mars uses assignment tables containing pseudoresidue spin system records, protein polypeptide sequence, and result of psipred secondary structure prediction program. It also makes use of experimental distributions of aminoacid chemical shifts.

Output of this program is the assignment of pseudoresidue spin systems to protein aminoacids.

Typically, for ~60 aminoacid polypeptide it takes a day to prepare the input table. The program usually generates fairly complete backbone assignment after the first run. Run time depends on the size of protein. (< 2min for chains less then 100 residues)

Related scripts available: sparky2mars.pl

References

1. Jung, YS and Zweckstetter, M. Mars-robust automatic backbone assignment of proteins. Journal of Biomolecular NMR 30(1):11--23, 2004. BibTeX [jung]