SDF format of Crystallography Open Database - April 2023

  • Saulius Gražulis (Contributor)
  • Daniel Chateigner (Contributor)
  • Robert T. Downs (Contributor)
  • A. F T Yokochi (Contributor)
  • Miguel Quirós (Contributor)
  • Luca Lutterotti (Contributor)
  • Elena Manakova (Contributor)
  • Justas Butkus (Contributor)
  • Peter Moeck (Contributor)
  • Armel Le Bail (Contributor)
  • Andrius Merkys (Contributor)
  • Antanas Vaitkus (Contributor)
  • Mykolas Okulič-Kazarinas (Contributor)
  • Visvaldas Kairys (Contributor)
  • Saulė Girdzijauskaitė (Contributor)
  • Algirdas Grybauskas (Contributor)
  • Aleksandras Konovalovas (Contributor)
  • Adriana Daškevič (Contributor)
  • Nadezhda R. Serebryanaya (Contributor)

Dataset

Description

This is a dump & transform to SDF of the crystallography open database that I computed & published in the context of a blog post. You can use that as alternative to extract angle, dihedral or distance statistics from freely & openly accessible crystal structures.
Date made availableApr 24 2023
PublisherZENODO

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