Issues · pdbe · GitLab

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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