Straightforward and complete deposition of NMR data to the PDBe.
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 .
Penkett
Christopher J
CJ
Protein Data Bank in Europe, European Bioinformatics Institute, Wellcome Trust Genome Campus, Hinxton, Cambridge CB101SD, UK.
van Ginkel
Glen
G
Velankar
Sameer
S
Swaminathan
Jawahar
J
Ulrich
Eldon L
EL
Mading
Steve
S
Stevens
Tim J
TJ
Fogh
Rasmus H
RH
Gutmanas
Aleksandras
A
Kleywegt
Gerard J
GJ
Henrick
Kim
K
Vranken
Wim F
WF
D003628:Database Management Systems; D030562:Databases, Protein; D019906:Nuclear Magnetic Resonance, Biomolecular; D011506:Proteins / Q000737:chemistry / Q000145:classification; D014584:User-Computer Interface
D011506:Proteins