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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

Ring MatPlotLib code causes crash in Linux.

ccdutils#46 · created May 08, 2018 by Oliver Smart
- CLOSED
- 3
updated May 08, 2018
Working with unknown/general elements

ccdutils#45 · created Apr 18, 2018 by Lukas Pravda
- CLOSED
- 2
updated Nov 22, 2018
Problem with subgraph matching in RDkit

ccdutils#44 · created Apr 18, 2018 by Lukas Pravda
- CLOSED
- 1
updated Oct 11, 2018
Present sanitization process 'overengineers' certain compounds

ccdutils#43 · created Apr 18, 2018 by Lukas Pravda
- CLOSED
- 2
updated Dec 19, 2018
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
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
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
Rethink on 2D chemical diagram images

ccdutils#25 · created Sep 19, 2017 by Oliver Smart Improve PDBe Chemical Components backend infrastructure using RDKit: beta test version
- CLOSED
- 3
updated Sep 20, 2017

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