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56 Open 139 Closed
56 Open 139 Closed
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Issues list

Read all constants from a configuration file. enhancement New feature or request. good first issue Good for newcomers.
#416 opened Dec 25, 2023 by primaryodors
Side chain clashes in docks. bug Something isn't working. CRITICAL Something is very wrong. help wanted Extra attention is requested. high priority Above average priority.
#415 opened Dec 23, 2023 by primaryodors
4
Small performance opportunity in new Conjugation class. enhancement New feature or request. help wanted Extra attention is requested. low priority Not a show stopper, but should be addressed.
#395 opened Nov 26, 2023 by primaryodors
Increase memory robustness. high priority Above average priority.
#356 opened Sep 17, 2023 by primaryodors
4
Possible mechanism for OR51E2 activation by ionones.
#347 opened Sep 5, 2023 by primaryodors
1
Break molecular interaction test out to separate entry in unit_test_express. good first issue Good for newcomers.
#320 opened Aug 5, 2023 by primaryodors
Pepteditor: Update CTNRG to allow omnidirectional optimization.
#315 opened Aug 1, 2023 by primaryodors
@primaryodors
1
Add PDBx/mmCIF support. help wanted Extra attention is requested. medium priority This should be made working as soon as time permits.
#311 opened Jul 28, 2023 by primaryodors
Create unit test for every Pepteditor command. good first issue Good for newcomers. help wanted Extra attention is requested. high priority Above average priority.
#298 opened Jul 13, 2023 by primaryodors
@primaryodors
Stack, rather than heap, return value pointers. enhancement New feature or request. medium priority This should be made working as soon as time permits.
#295 opened Jul 11, 2023 by primaryodors
Expand the prediction system to include arrestins. low priority Not a show stopper, but should be addressed.
#291 opened Jul 7, 2023 by primaryodors
1
Pepteditor: Helix function is warping side chains. high priority Above average priority.
#282 opened Jun 24, 2023 by electronicsbyjulie
2
Confidence level in predictions. on hold Waiting for something else to be working first.
#280 opened Jun 24, 2023 by electronicsbyjulie
Allow ACVTH.rgn as a valid $metrics_to_process in methods.common.php. on hold Waiting for something else to be working first.
#278 opened Jun 22, 2023 by primaryodors
@primaryodors
Bias by energy in methods_common.php on hold Waiting for something else to be working first.
#277 opened Jun 22, 2023 by primaryodors
@primaryodors
Odorant Binding Proteins medium priority This should be made working as soon as time permits. on hold Waiting for something else to be working first.
#276 opened Jun 22, 2023 by primaryodors
@primaryodors
2
Probability-based conformer search question Further information is requested
#275 opened Jun 19, 2023 by primaryodors
1
The binding pocket of OR5K1 on hold Waiting for something else to be working first.
#274 opened Jun 15, 2023 by electronicsbyjulie
pKa shifts of nitrogenous aromatic heterocycles. help wanted Extra attention is requested. high priority Above average priority.
#273 opened Jun 15, 2023 by electronicsbyjulie
2
Bring back molecular "ESP" but rename it "lookahead". on hold Waiting for something else to be working first.
#271 opened Jun 15, 2023 by electronicsbyjulie
Move pepteditor's raise_error() ftn to an include file. enhancement New feature or request. good first issue Good for newcomers. help wanted Extra attention is requested. medium priority This should be made working as soon as time permits.
#264 opened May 31, 2023 by electronicsbyjulie
Retire unused features. enhancement New feature or request.
#251 opened May 20, 2023 by primaryodors
Trap segfaults and serialize dock results for recovery. enhancement New feature or request. good first issue Good for newcomers. help wanted Extra attention is requested. medium priority This should be made working as soon as time permits.
#249 opened May 19, 2023 by electronicsbyjulie
Pepteditor: Replace MCOORD with an all-purpose atom/molecule addition feature. enhancement New feature or request. medium priority This should be made working as soon as time permits.
#246 opened May 16, 2023 by primaryodors
OR2AG1 is likely to be misaligned. low priority Not a show stopper, but should be addressed.
#242 opened May 2, 2023 by electronicsbyjulie
2
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