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

J 2010

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 et. al.

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

Language

English

Type of outcome

Článek v odborném periodiku

Field of Study

10600 1.6 Biological sciences

Country of publisher

Czech Republic

Confidentiality degree

není předmětem státního či obchodního tajemství

References:

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

Změněno: 2/5/2012 16:12, prof. Mgr. Lukáš Žídek, Ph.D.

Abstract

V originále

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

Citovat

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.

@article{878347,
   author = {Novák, Petr and Žídek, Lukáš and Motáčková, Veronika and Padrta, Petr and Švenková, Alžbeta and Nuzillard, Jean Marc and Krásný, Libor and Sklenář, Vladimír},
   article_location = {Dordrecht},
   article_number = {2},
   keywords = {Software - Sparky - Residual dipolar couplings - NMR},
   language = {eng},
   issn = {0925-2738},
   journal = {Journal of Biomolecular NMR},
   title = {S3EPY: a Sparky extension for determination of small scalar couplings from spin-state-selective excitation NMR experiments},
   url = {http://dx.doi.org/10.1007/s10858-009-9392-1},
   volume = {46},
   year = {2010}
}

TY  - JOUR
ID  - 878347
AU  - Novák, Petr - Žídek, Lukáš - Motáčková, Veronika - Padrta, Petr - Švenková, Alžbeta - Nuzillard, Jean Marc - Krásný, Libor - Sklenář, Vladimír
PY  - 2010
TI  - S3EPY: a Sparky extension for determination of small scalar couplings from spin-state-selective excitation NMR experiments
JF  - Journal of Biomolecular NMR
VL  - 46
IS  - 2
SP  - 191-197
EP  - 191-197
PB  - Springer Netherlands
SN  - 09252738
KW  - Software - Sparky - Residual dipolar couplings - NMR
UR  - http://dx.doi.org/10.1007/s10858-009-9392-1
N2  - 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.
ER  -

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. \textit{Journal of Biomolecular NMR}. Dordrecht: Springer Netherlands, 2010, vol.~46, No~2, p.~191-197. ISSN~0925-2738.

Detailed Information on Publication Record