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pdbe
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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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