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  • pdbe
  • Issues

  • Open 20
  • Closed 43
  • All 63
  • Priority Created date Updated date Milestone due date Due date Popularity Label priority Manual Title Weight Blocking
  • Use RDKit to write sdf file for PDB CCD   4 of 4 tasks completed
    ccdutils#3 · created May 29, 2017 by Oliver Smart   Improve PDBe Chemical Components backend infrastructure using RDKit: beta test version   Qi project development
    • CLOSED
    • 5
    updated Mar 28, 2018
  • Initial version of class to create RDKit molecule from a PDB CCD definition
    ccdutils#2 · created May 29, 2017 by Oliver Smart   Improve PDBe Chemical Components backend infrastructure using RDKit: beta test version   development
    • CLOSED
    • 1
    updated May 29, 2017
  • Class to parse PDB chemical component cif definitions: initial version
    ccdutils#1 · created May 29, 2017 by Oliver Smart   Improve PDBe Chemical Components backend infrastructure using RDKit: beta test version   development
    • CLOSED
    • 1
    updated Mar 28, 2018
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