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@article{407715, author = {Padrta, Petr and Sklenář, Vladimír}, article_location = {Dordrecht}, article_number = {4}, keywords = {computer graphics; interatomic distance; NMR; scalar coupling constant; software; torsion angle}, language = {eng}, issn = {0925-2738}, journal = {Journal of Biomolecular NMR}, title = {Program MULDER - A tool for extracting torsion angles from NMR data}, volume = {24}, year = {2002} }
TY - JOUR ID - 407715 AU - Padrta, Petr - Sklenář, Vladimír PY - 2002 TI - Program MULDER - A tool for extracting torsion angles from NMR data JF - Journal of Biomolecular NMR VL - 24 IS - 4 SP - 339 EP - 339 PB - Kluwer/Escom SN - 09252738 KW - computer graphics KW - interatomic distance KW - NMR KW - scalar coupling constant KW - software KW - torsion angle N2 - 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. ER -
PADRTA, Petr a Vladimír SKLENÁŘ. Program MULDER - A tool for extracting torsion angles from NMR data. \textit{Journal of Biomolecular NMR}. Dordrecht: Kluwer/Escom, 2002, roč.~24, č.~4, s.~339-349. ISSN~0925-2738.
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