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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

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
create svg with "image not available" for ligand where image cannot be generated

ccdutils#26 · created Sep 27, 2017 by Oliver Smart PDBeChem Backend Processing: get into preproduction proposals
- CLOSED
- 1
updated Oct 13, 2018
improve fragment searching method & library 7 of 10 tasks completed

ccdutils#24 · created Sep 14, 2017 by Oliver Smart PDBeChem Backend Processing: get into preproduction
- CLOSED
- 17
updated Oct 02, 2017
PDBeChem ftp Output: Supply divided directory

ccdutils#23 · created Sep 08, 2017 by Oliver Smart PDBeChem Backend Processing: get into preproduction proposals
- CLOSED
- 1
updated Oct 13, 2018
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
Method duplicitation in the file test_process_components_cif_cli.py

ccdutils#42 · created Apr 05, 2018 by Ijaz Ahmad refactor ccd_utils with better class structure.
- CLOSED
- 2
updated May 10, 2018
Get process_components_cif_cli working in refactoring branch

ccdutils#41 · created Mar 31, 2018 by Oliver Smart refactor ccd_utils with better class structure. To Do
- CLOSED
- 1
updated Oct 13, 2018
Docstring format and automatic python API documenation generation

ccdutils#40 · created Mar 28, 2018 by Oliver Smart refactor ccd_utils with better class structure. Doing needs review
- CLOSED
- 9
updated Apr 18, 2018
Agree coding standards

ccdutils#39 · created Mar 28, 2018 by Oliver Smart refactor ccd_utils with better class structure.
- CLOSED
- 3
updated Jun 01, 2018
Add process_components_cif script to back refactoring branch in stub form

ccdutils#38 · created Mar 28, 2018 by Oliver Smart refactor ccd_utils with better class structure.
- CLOSED
- 4
updated Mar 31, 2018
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
Overengineered images

ccdutils#52 · created Jun 27, 2019 by Lukas Pravda
- 0
updated Jun 27, 2019
have a look at the SVGs generated if anything has changed with the new release.

ccdutils#51 · created Apr 09, 2019 by Lukas Pravda
- CLOSED
- 0
updated Apr 10, 2019
Add bond information to the component annotation json file

ccdutils#50 · created Apr 09, 2019 by Lukas Pravda
- CLOSED
- 1
updated May 20, 2019
inspect changes to non-inchiable inchi generation

ccdutils#49 · created Apr 09, 2019 by Lukas Pravda
- 0
updated Apr 09, 2019

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