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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

Overengineered images

ccdutils#52 · created Jun 27, 2019 by Lukas Pravda
- 0
updated Jun 27, 2019
inspect changes to non-inchiable inchi generation

ccdutils#49 · created Apr 09, 2019 by Lukas Pravda
- 0
updated Apr 09, 2019
Display long name of ligands

pdbe/web-components/ligand-env#11 · created Feb 05, 2019 by Lukas Pravda
- 0
updated Feb 05, 2019
Display tooltips next to the place where they are relevant

pdbe/web-components/ligand-env#10 · created Feb 05, 2019 by Lukas Pravda
- 1
updated Feb 05, 2019
Bear color blind people in mind

pdbe/web-components/ligand-env#5 · created Jan 28, 2019 by Lukas Pravda
- 0
updated Jan 28, 2019
Add full-atom view of bound molecules

pdbe/web-components/ligand-env#4 · created Jan 28, 2019 by Lukas Pravda
- 0
updated Jan 28, 2019
Set up a process and API to identify carbohydrates

pdbe/web-components/ligand-env#2 · created Jan 03, 2019 by Lukas Pravda
- 0
updated Jan 03, 2019
Create unit tests for new refactoring branch

ccdutils#37 · created Mar 26, 2018 by Oliver Smart refactor ccd_utils with better class structure. Doing
- 8
updated May 22, 2018
Deal with issues using the CifFile parser

ccdutils#35 · created Nov 05, 2017 by Oliver Smart
- 2
updated Nov 05, 2017
fragment searching library: check current fragments and add any new 0 of 5 tasks completed

ccdutils#33 · created Oct 02, 2017 by Oliver Smart PDBeChem Backend Processing: get into preproduction To Do
- 0
updated Oct 17, 2017
write a document about porphryin remediation

ccdutils#32 · created Sep 29, 2017 by Oliver Smart PDBeChem Backend Processing: get into preproduction proposals
- 1
updated Sep 29, 2017
Produce images of named fragments

ccdutils#31 · created Sep 28, 2017 by Oliver Smart PDBeChem Backend Processing: get into preproduction proposals
- 0
updated Oct 01, 2017
Agree exact aims for the project and timecourse

ccdutils#30 · created Sep 28, 2017 by Oliver Smart PDBeChem Backend Processing: get into preproduction To Do
- 0
updated Sep 28, 2017
Document the existing chemistry-related release processes

ccdutils#29 · created Sep 28, 2017 by Oliver Smart PDBeChem Backend Processing: get into preproduction To Do
- 0
updated Sep 28, 2017
process_components_cif separate out functionality to split into individual cif

ccdutils#28 · created Sep 27, 2017 by Oliver Smart PDBeChem Backend Processing: get into preproduction proposals
- 0
updated Sep 28, 2017
process_components_cif improve logging output with a summary at the end of the run.

ccdutils#27 · created Sep 27, 2017 by Oliver Smart PDBeChem Backend Processing: get into preproduction proposals
- 0
updated Sep 28, 2017
chem.xml add useful rdkit descriptors like number of rotatable bonds

ccdutils#22 · created Aug 29, 2017 by Oliver Smart
- 2
updated Nov 22, 2018
Proof of concept: Mogul report on PDB-CCD ideal coordinates

ccdutils#20 · created Jul 13, 2017 by Oliver Smart development
- 21
updated Nov 18, 2017
Develop utility command line script to read single cif and write coordinate files/images etc.

ccdutils#19 · created Jun 07, 2017 by Oliver Smart PDBeChem Backend Processing: get into preproduction Shelved development started
- 4
updated Sep 27, 2017
Write CML files: *needs to be checked*

ccdutils#8 · created May 29, 2017 by Oliver Smart PDBeChem Backend Processing: get into preproduction Qi project Shelved development
- 8
updated Oct 01, 2017