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