Program MULDER - A tool for extracting torsion angles from NMR data

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Authors	PADRTA Petr SKLENÁŘ Vladimír
Year of publication	2002
Type	Article in Periodical
Magazine / Source	Journal of Biomolecular NMR
MU Faculty or unit	Faculty of Science
Citation
Field	Biochemistry
Keywords	computer graphics; interatomic distance; NMR; scalar coupling constant; software; torsion angle
Description	MULDER (Mostly UniversaL Dihedral angle ExtractoR) is a program for extraction of torsion angle information from NMR data. Currently, it can analyze two types of input data: The torsion angle data, where several 3J-coupling constants and/or interatomic distances are combined in order to reduce the torsion angle ambiguity arising from solving the isolated Karplus (or distance) equation, and the sugar pucker data, where the dynamics of five-membered sugar rings is evaluated by postprocessing the results calculated from 3J(HH) coupling constants by program PSEUROT. Program MULDER can be used either as an alternative to r-MD programs in situations where only specific structural features are studied, or as a preparatory tool in connection with full r-MD structure calculation for extraction of unambiguous torsion angle restraints.
Related projects:	Biomolecular Center