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Straightforward and complete deposition of NMR data to the PDBe.

Authors :
Penkett CJ
van Ginkel G
Velankar S
Swaminathan J
Ulrich EL
Mading S
Stevens TJ
Fogh RH
Gutmanas A
Kleywegt GJ
Henrick K
Vranken WF
Source :
Journal of biomolecular NMR [J Biomol NMR] 2010 Oct; Vol. 48 (2), pp. 85-92. Date of Electronic Publication: 2010 Aug 03.
Publication Year :
2010

Abstract

We present a suite of software for the complete and easy deposition of NMR data to the PDB and BMRB. This suite uses the CCPN framework and introduces a freely downloadable, graphical desktop application called CcpNmr Entry Completion Interface (ECI) for the secure editing of experimental information and associated datasets through the lifetime of an NMR project. CCPN projects can be created within the CcpNmr Analysis software or by importing existing NMR data files using the CcpNmr FormatConverter. After further data entry and checking with the ECI, the project can then be rapidly deposited to the PDBe using AutoDep, or exported as a complete deposition NMR-STAR file. In full CCPN projects created with ECI, it is straightforward to select chemical shift lists, restraint data sets, structural ensembles and all relevant associated experimental collection details, which all are or will become mandatory when depositing to the PDB. Instructions and download information for the ECI are available from the PDBe web site at http://www.ebi.ac.uk/pdbe/nmr/deposition/eci.html .

Details

Language :
English
ISSN :
1573-5001
Volume :
48
Issue :
2
Database :
MEDLINE
Journal :
Journal of biomolecular NMR
Publication Type :
Academic Journal
Accession number :
20680401
Full Text :
https://doi.org/10.1007/s10858-010-9439-3