Deposit3D: a tool for automating structure depositions to the Protein Data Bank

Acta Crystallogr Sect F Struct Biol Cryst Commun. 2005 Sep 1;61(Pt 9):818-20. doi: 10.1107/S1744309105026126. Epub 2005 Aug 31.

Abstract

Almost all successful protein structure-determination projects in the public sector culminate in a structure deposition to the Protein Data Bank (PDB). In order to expedite the deposition process, Deposit3D has been developed. This command-line script calculates or gathers all the required structure-deposition information and outputs this data into a mmCIF file for subsequent upload through the RCSB PDB ADIT interface. Deposit3D might be particularly useful for structural genomics pipeline projects because it allows workers involved with various stages of a structure-determination project to pool their different categories of annotation information before starting a deposition session.

MeSH terms

  • Automation / methods
  • Databases, Protein*
  • Documentation
  • Molecular Structure
  • Software*
  • User-Computer Interface*