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volkamerlab
/
opencadd
A Python library for structural cheminformatics
https://opencadd.readthedocs.io
MIT License
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superposer is insenstive to residues with insertion codes
#56
dominiquesydow
opened
3 years ago
2
Add KLIFS Swagger API updates
#55
dominiquesydow
closed
2 years ago
2
Pocket visualization
#54
dominiquesydow
closed
3 years ago
3
Update `setup-miniconda` to v2
#53
jaimergp
closed
3 years ago
1
opencadd README: Add list of external resources
#52
dominiquesydow
opened
3 years ago
1
Install package in docs CI too
#51
jaimergp
closed
3 years ago
6
Update readthedocs pages
#50
dominiquesydow
closed
3 years ago
1
opencadd.structure.pocket: Add features to nglview views
#49
dominiquesydow
opened
3 years ago
0
Update biopandas usage: Read pdb from list of strings
#48
dominiquesydow
opened
3 years ago
1
Slow performance of atom selection with MDAnalysis
#47
dominiquesydow
opened
3 years ago
0
Unpin biopython and update Bio.Alphabet usage
#46
jaimergp
opened
3 years ago
0
Pin biopython to 1.77 for now
#45
jaimergp
closed
3 years ago
1
Add new modules: io, klifs, pocket
#44
dominiquesydow
closed
3 years ago
16
Add opencadd.io module
#43
dominiquesydow
closed
3 years ago
0
Parsing molecules
#42
dominiquesydow
opened
3 years ago
3
Add opencadd.structure.subpockets module
#41
dominiquesydow
closed
3 years ago
1
Add readthedocs support
#40
jaimergp
closed
3 years ago
1
Add opencadd.databases.klifs module
#39
dominiquesydow
closed
3 years ago
14
Add opencadd.databases.klifs module
#38
dominiquesydow
closed
3 years ago
6
Superposer to opencadd
#37
jaimergp
closed
4 years ago
2
Convert to opencadd
#36
jaimergp
closed
3 years ago
1
ASCONA
#35
jaimergp
opened
4 years ago
1
Theseus fails with SIGABRT
#34
jaimergp
closed
4 years ago
1
Reaching alpha
#33
jaimergp
closed
4 years ago
3
Added the Paper for StructuralAlignment
#32
pipaj97
closed
4 years ago
0
Overview of different methods and servers
#31
jaimergp
opened
4 years ago
0
Theseus - add coordinates of superposed models to original models
#30
Tiggha
closed
4 years ago
0
Write superposed files back to disk
#29
jaimergp
closed
4 years ago
0
Methods inspired by Pymol
#28
jaimergp
opened
4 years ago
0
Meeting 22.4.20
#27
anniepham7
closed
4 years ago
1
Provide selection API for partial alignment
#26
jaimergp
opened
4 years ago
3
Docs
#25
pipaj97
closed
4 years ago
2
MUSTANG
#24
jaimergp
opened
4 years ago
0
Template for the Notebooks
#23
pipaj97
closed
4 years ago
1
Benchmarking dataset
#22
jaimergp
opened
4 years ago
6
Add examples / tutorials
#21
jaimergp
closed
4 years ago
4
theseus return finished dict
#20
Tiggha
closed
4 years ago
1
We can also try to provide the transformation matrix.
#19
pipaj97
closed
4 years ago
2
All of the aligners have to return the same dictionary
#18
pipaj97
closed
4 years ago
0
Matchmaker issues
#17
anniepham7
closed
4 years ago
1
mmligner
#16
Koesed96
closed
4 years ago
5
Docs and misc
#15
jaimergp
closed
4 years ago
1
How to get the Metadata from the atomium.model?
#14
pipaj97
closed
4 years ago
3
Cumulative multi-PR
#13
jaimergp
closed
4 years ago
1
Name of the project
#12
pipaj97
closed
4 years ago
21
Windows support
#11
pipaj97
opened
4 years ago
1
visualization tool
#10
pipaj97
closed
4 years ago
2
mmligner can't read pdb files written by atomium
#9
Koesed96
closed
4 years ago
9
import test for mmligner recipe
#8
Koesed96
closed
4 years ago
1
Tasks for 5th week
#7
jaimergp
closed
4 years ago
0
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