S3EPY: a Sparky extension for determination of small scalar couplings from spin-state-selective excitation NMR experiments

NOVÁK, Petr, Lukáš ŽÍDEK, Veronika MOTÁČKOVÁ, Petr PADRTA, Alžbeta ŠVENKOVÁ, Jean Marc NUZILLARD, Libor KRÁSNÝ and Vladimír SKLENÁŘ. S3EPY: a Sparky extension for determination of small scalar couplings from spin-state-selective excitation NMR experiments. Journal of Biomolecular NMR. Dordrecht: Springer Netherlands, 2010, vol. 46, No 2, p. 191-197. ISSN 0925-2738.

Basic information

• Original name: S3EPY: a Sparky extension for determination of small scalar couplings from spin-state-selective excitation NMR experiments
• Authors: NOVÁK, Petr (203 Czech Republic, belonging to the institution), Lukáš ŽÍDEK (203 Czech Republic, guarantor, belonging to the institution), Veronika MOTÁČKOVÁ (203 Czech Republic, belonging to the institution), Petr PADRTA (203 Czech Republic, belonging to the institution), Alžbeta ŠVENKOVÁ (703 Slovakia), Jean Marc NUZILLARD (250 France), Libor KRÁSNÝ (203 Czech Republic) and Vladimír SKLENÁŘ (203 Czech Republic, belonging to the institution).
• Edition: Journal of Biomolecular NMR, Dordrecht, Springer Netherlands, 2010, 0925-2738.

Other information

• Original language: English
• Type of outcome: Article in a journal
• Field of Study: 10600 1.6 Biological sciences
• Country of publisher: Czech Republic
• Confidentiality degree: is not subject to a state or trade secret
• WWW: URL
• Impact factor: Impact factor: 3.047
• RIV identification code: RIV/00216224:14310/10:00043623
• Organization unit: Faculty of Science
• UT WoS: 000274088200006
• Keywords in English: Software - Sparky - Residual dipolar couplings - NMR

Abstract

S3EPY is a Python extension to the program Sparky written to facilitate the assessment of coupling constants from in-phase/antiphase and spin-state-selective excitation (S3E) experiments. It enables the routine use of small scalar couplings by automating the coupling evaluation procedure. S3EPY provides an integrated graphical user interface to programs which outputs graphs and the table of determined couplings.

Links

• GA204/09/0583, research and development project: Name: Delta podjednotka RNA polymerázy z Gram pozitivních bakterií (Acronym: DELTA)

Investor: Czech Science Foundation

• LC06030, research and development project: Name: Biomolekulární centrum

Investor: Ministry of Education, Youth and Sports of the CR, Biomolecular centre

• MSM0021622413, plan (intention): Name: Proteiny v metabolismu a při interakci organismů s prostředím

Investor: Ministry of Education, Youth and Sports of the CR, Proteins in metabolism and interaction of organisms with the environment