J 2002

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

PADRTA, Petr and Vladimír SKLENÁŘ

Basic information

Original name

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

Authors

PADRTA, Petr (203 Czech Republic) and Vladimír SKLENÁŘ (203 Czech Republic, guarantor)

Edition

Journal of Biomolecular NMR, Dordrecht, Kluwer/Escom, 2002, 0925-2738

Other information

Language

English

Type of outcome

Článek v odborném periodiku

Field of Study

10600 1.6 Biological sciences

Country of publisher

Netherlands

Confidentiality degree

není předmětem státního či obchodního tajemství

Impact factor

Impact factor: 2.833

RIV identification code

RIV/00216224:14310/02:00007065

Organization unit

Faculty of Science

UT WoS

000179810200006

Keywords in English

computer graphics; interatomic distance; NMR; scalar coupling constant; software; torsion angle

Tags

Změněno: 20/6/2008 12:55, prof. RNDr. Vladimír Sklenář, DrSc.

Abstract

V originále

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.

Links

LN00A016, research and development project
Name: BIOMOLEKULÁRNÍ CENTRUM
Investor: Ministry of Education, Youth and Sports of the CR, Biomolecular Center