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mwinokan
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PoseButcher
Pose butcher segments a ligand into categories
https://posebutcher.winokan.com
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PyMol output
#33
mwinokan
opened
4 months ago
0
Visualize transparent mesh
#32
athinnappan
closed
6 months ago
0
Derive pocket definitions from native substrate and/or pre-tagged fragment hits
#31
mwinokan
opened
7 months ago
0
Add some example pose butchers to the asap canonical views notion page
#30
mwinokan
opened
7 months ago
0
Provide expansion vector limits to Syndirella
#29
mwinokan
opened
7 months ago
6
Robust handling of relative paths in write and from_directory
#28
mwinokan
closed
7 months ago
0
Define pocket from ligand's nearby residues
#27
mwinokan
opened
8 months ago
0
Deploy readthedocs
#26
mwinokan
closed
7 months ago
0
PocketPicker
#25
mwinokan
opened
8 months ago
0
Validation
#24
mwinokan
opened
9 months ago
0
tqdm / MPyTools progress bar for initialisation
#23
mwinokan
opened
9 months ago
0
Use tempfile package to handle pygamer files
#22
mwinokan
opened
9 months ago
0
Transparent pocket meshes
#21
mwinokan
closed
9 months ago
0
Change file I/O (butcher.write and butcher.from_directory) to use pydantic
#20
mwinokan
opened
9 months ago
2
Create named tuple for chop output
#19
mwinokan
opened
9 months ago
0
Logging
#18
mwinokan
closed
9 months ago
0
PyPI
#17
mwinokan
closed
9 months ago
0
Create a colour cycler for pockets
#16
mwinokan
closed
9 months ago
0
Low-hanging fruit: use cases in XChem / ASAP
#15
mwinokan
opened
9 months ago
1
histogram of protein-ligand atom distances from XChem data
#14
mwinokan
closed
9 months ago
0
tag hits using the butcher pockets
#13
mwinokan
closed
9 months ago
0
clip pocket meshes to bisector plane between all other pockets
#12
mwinokan
closed
9 months ago
0
Bulk outputs CSV/SDF/ grid of images?
#11
mwinokan
opened
9 months ago
0
Classify relative to to base compound
#10
mwinokan
closed
9 months ago
0
Label which protein atom is clashing on 2d drawing
#9
mwinokan
opened
9 months ago
0
Smooth protein surface
#8
mwinokan
closed
9 months ago
1
Improve 3d render for chop
#7
mwinokan
closed
9 months ago
0
Paint pocket mesh
#6
mwinokan
closed
9 months ago
0
Verify installation
#5
mwinokan
closed
9 months ago
0
Update docs
#4
mwinokan
closed
9 months ago
0
Type hinting
#3
mwinokan
closed
8 months ago
0
Utilise fragment and protein electron densities?
#2
mwinokan
opened
10 months ago
0
Rename to pockepainter?
#1
mwinokan
closed
9 months ago
0