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  • pdbe
  • Issues

  • Open 20
  • Closed 43
  • All 63
  • Priority Created date Last updated Milestone due date Due date Popularity Label priority Manual Weight Blocking
  • Draw all sugar classes
    pdbe/web-components/ligand-env#1 · created Jan 03, 2019 by Lukas Pravda
    • CLOSED
    • 1
    updated Jan 28, 2019
  • 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
  • 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
  • Distinguish sidechain vs. mainchain interactions
    pdbe/web-components/ligand-env#3 · created Jan 28, 2019 by Lukas Pravda
    • CLOSED
    • 1
    updated Feb 24, 2020
  • Document the current installation procedure
    ccdutils#14 · created May 29, 2017 by Oliver Smart   Improve PDBe Chemical Components backend infrastructure using RDKit: beta test version   Qi project development
    • CLOSED
    • 0
    updated Sep 21, 2017
  • Add DMSO and Sildenafil to list of test CCD cif files
    ccdutils#12 · created May 29, 2017 by Oliver Smart   Improve PDBe Chemical Components backend infrastructure using RDKit: beta test version   Qi project enhancement
    • CLOSED
    • 1
    updated Sep 21, 2017
  • Glycans are broken on firefox
    pdbe/web-components/ligand-env#6 · created Jan 29, 2019 by Lukas Pravda
    • CLOSED
    • 1
    updated Feb 04, 2019
  • Write 2D images of PDB CCD molecule
    ccdutils#6 · created May 29, 2017 by Oliver Smart   Improve PDBe Chemical Components backend infrastructure using RDKit: beta test version   Qi project development
    • CLOSED
    • 11
    updated Oct 01, 2017
  • zoom issues on all devices
    pdbe/web-components/ligand-env#7 · created Jan 29, 2019 by Lukas Pravda
    • CLOSED
    • 1
    updated Mar 21, 2019
  • 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
  • Highlight bound molecule
    pdbe/web-components/ligand-env#8 · created Feb 05, 2019 by Lukas Pravda
    • CLOSED
    • 1
    • 2
    updated Mar 21, 2019
  • Write pdb files for PDB CCD
    ccdutils#4 · created May 29, 2017 by Oliver Smart   Improve PDBe Chemical Components backend infrastructure using RDKit: beta test version   Qi project development
    • CLOSED
    • 7
    updated Sep 21, 2017
  • Make legend visible at the begining
    pdbe/web-components/ligand-env#9 · created Feb 05, 2019 by Lukas Pravda
    • CLOSED
    • 1
    updated Feb 19, 2019
  • Split wwPDB chemical component dictionary file into separate cif file for each component
    ccdutils#9 · created May 29, 2017 by Oliver Smart   Improve PDBe Chemical Components backend infrastructure using RDKit: beta test version   development
    • CLOSED
    • 7
    updated Sep 11, 2017
  • Create chem.xml for all components
    ccdutils#10 · created May 29, 2017 by Oliver Smart   Improve PDBe Chemical Components backend infrastructure using RDKit: beta test version   development
    • CLOSED
    • 4
    updated Aug 29, 2017
  • Tool for finding "fragments" in each CCD molecule.
    ccdutils#11 · created May 29, 2017 by Oliver Smart   Improve PDBe Chemical Components backend infrastructure using RDKit: beta test version   development
    • CLOSED
    • 8
    updated Sep 14, 2017
  • Handling heme
    ccdutils#5 · created May 29, 2017 by Oliver Smart   Improve PDBe Chemical Components backend infrastructure using RDKit: beta test version   bug
    • CLOSED
    • 16
    updated Sep 29, 2017
  • Script to read wwPDB chemical component dictionary and split it to produce PDBeChem outputs   17 of 18 tasks completed
    ccdutils#13 · created May 29, 2017 by Oliver Smart   Improve PDBe Chemical Components backend infrastructure using RDKit: beta test version   development
    • CLOSED
    • 21
    updated Sep 08, 2017
  • Change pointer based on the context
    pdbe/web-components/ligand-env#12 · created Feb 05, 2019 by Lukas Pravda
    • CLOSED
    • 0
    updated Feb 05, 2019
  • rethink border color of the graphical elements
    pdbe/web-components/ligand-env#13 · created Feb 05, 2019 by Lukas Pravda
    • CLOSED
    • 0
    updated Mar 21, 2019
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