4.3 Article

Straightforward and complete deposition of NMR data to the PDBe

期刊

JOURNAL OF BIOMOLECULAR NMR
卷 48, 期 2, 页码 85-92

出版社

SPRINGER
DOI: 10.1007/s10858-010-9439-3

关键词

Database deposition; CCPN; wwPDB; Structure calculation; Structure validation; NMR-STAR

资金

  1. UK Biotechnology and Biological Sciences Research Council (BBSRC) [BBE0075111]
  2. Wellcome Trust [088944]
  3. US National Library of Medicine [LM05799]
  4. BBSRC [BB/E005071/1, BB/E007511/1, BB/H004130/1] Funding Source: UKRI
  5. Biotechnology and Biological Sciences Research Council [BB/E005071/1, BB/E007511/1, BB/H004130/1, B20259] Funding Source: researchfish

向作者/读者索取更多资源

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

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