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primaryodors
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primarydock
PrimaryOdors.org molecular docker.
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Rename glom to group. #248
#253
electronicsbyjulie
closed
1 year ago
1
Data entry utility - Do Not Merge.
#252
primaryodors
opened
1 year ago
0
Retire unused features.
#251
primaryodors
opened
1 year ago
0
Fixes for best binding pullaway bug.
#250
electronicsbyjulie
closed
1 year ago
2
Trap segfaults and serialize dock results for recovery.
#249
electronicsbyjulie
opened
1 year ago
0
Rename "glom" to Group.
#248
primaryodors
closed
1 year ago
0
Keep separate heavy and non-heavy rot bond caches.
#247
primaryodors
closed
1 year ago
2
Pepteditor: Replace MCOORD with an all-purpose atom/molecule addition feature.
#246
primaryodors
opened
1 year ago
0
Config files for docking according to literature.
#245
primaryodors
closed
10 months ago
0
Metal coordination in dock config file.
#244
electronicsbyjulie
closed
1 year ago
20
Per-atom audit of binding energies.
#243
electronicsbyjulie
closed
1 year ago
0
OR2AG1 is likely to be misaligned.
#242
electronicsbyjulie
opened
1 year ago
2
Before docking, check SDF exists and create or fetch if not.
#241
electronicsbyjulie
closed
1 year ago
0
Cleanup unused files.
#240
electronicsbyjulie
closed
1 year ago
0
Template homology
#239
electronicsbyjulie
closed
1 year ago
1
Progress bar
#238
electronicsbyjulie
closed
1 year ago
1
Create a code outline to facilitate easier project development.
#237
primaryodors
opened
1 year ago
0
Few segfault fixes.
#236
electronicsbyjulie
closed
1 year ago
0
C'mon github git your you know what together.
#235
electronicsbyjulie
closed
1 year ago
0
Pepteditor: increase limit to 64k variables.
#234
electronicsbyjulie
closed
1 year ago
0
Updates to odorant list and names.
#233
electronicsbyjulie
closed
1 year ago
0
Hide Kang data from web app. #221
#232
electronicsbyjulie
closed
1 year ago
0
Soft pocket indexed by pose, node.
#231
electronicsbyjulie
closed
1 year ago
0
Soft pocket indexed by pose, node.
#230
electronicsbyjulie
closed
1 year ago
2
Remove spiral button.
#229
electronicsbyjulie
closed
1 year ago
0
Better controls for viewer UI.
#228
electronicsbyjulie
closed
1 year ago
0
❗ VERY Wrong.
#227
primaryodors
closed
1 year ago
3
Another segfault fix.
#226
electronicsbyjulie
closed
1 year ago
2
Fix segfaults and infinite loops. #224
#225
electronicsbyjulie
closed
1 year ago
0
Intermittent segfaults and infinite loops when pose > 10
#224
primaryodors
closed
1 year ago
1
Fix amino aldehyde test.
#223
electronicsbyjulie
closed
1 year ago
4
Let's get the amino aldehyde test working again.
#222
primaryodors
closed
1 year ago
1
Disable or remove data from Kang (2020)
#221
primaryodors
closed
1 year ago
1
Clean up unused files.
#220
primaryodors
closed
1 year ago
0
#217 side chain flexion probabilities
#219
electronicsbyjulie
closed
1 year ago
5
Viewer only supports one ACR node.
#218
electronicsbyjulie
closed
1 year ago
0
Side chain flexion probabilities.
#217
primaryodors
closed
1 year ago
3
--movie mode now allows multiple poses, nodes.
#216
electronicsbyjulie
closed
1 year ago
1
Mandatory binding residues.
#215
electronicsbyjulie
closed
1 year ago
14
Incremental rock. #200
#214
electronicsbyjulie
closed
1 year ago
3
Recalculate can-clash residues when move part of a protein.
#213
electronicsbyjulie
closed
1 year ago
1
Should do something about clashes between side chains.
#212
primaryodors
opened
1 year ago
0
Result sorting algorithm bug.
#211
primaryodors
closed
1 year ago
1
Hydrophobic cohesion.
#210
electronicsbyjulie
closed
1 year ago
7
"Soft-rocking" activation method.
#209
electronicsbyjulie
closed
1 year ago
4
Upright the PDBs.
#208
electronicsbyjulie
closed
1 year ago
1
Polar satisfaction from #202.
#207
electronicsbyjulie
closed
1 year ago
2
Ligand bias and centralize multimol calculation from #202.
#206
electronicsbyjulie
closed
1 year ago
1
Arginine fix from #202.
#205
electronicsbyjulie
closed
1 year ago
2
Perform a rocking motion of TMR6 for receptor activation.
#204
electronicsbyjulie
closed
1 year ago
4
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