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minor tweaks CI #1471: Commit 069d286 pushed by wojdyr
16m 14s master
master
16m 14s
drg: speed up angle table loading with fast parsing CI #1470: Commit e378604 pushed by wojdyr
16m 1s master
master
16m 1s
drg: use set::insert().second for loaded-file dedup check CI #1469: Commit 8baff7d pushed by wojdyr
16m 30s master
master
16m 30s
CodeQL CodeQL #166: Scheduled
1h 17m 21s master
master
1h 17m 21s
drg: re-enable angle table loading CI #1468: Commit 03ac0af pushed by wojdyr
15m 57s master
master
15m 57s
drg: use ChemComp::find_atom_index() in adjust_* functions CI #1467: Commit d36ac71 pushed by wojdyr
13m 40s master
master
13m 40s
drg: two-phase aromaticity matching AceDRG's strict/permissive split CI #1466: Commit c7e6fba pushed by wojdyr
15m 0s master
master
15m 0s
drg: improve bond restraint matching for metal complexes and codClass… CI #1465: Commit b06ec3f pushed by wojdyr
13m 45s master
master
13m 45s
acedrg: clean up warnings CI #1464: Commit 9333204 pushed by wojdyr
14m 15s master
master
14m 15s
Limit guanidinium protonation for hetero substituents CI #1463: Commit 70f1b98 pushed by wojdyr
13m 43s master
master
13m 43s
Fix guanidinium H naming and terminal carboxylate check CI #1462: Commit b7ee57b pushed by wojdyr
14m 32s master
master
14m 32s
drg: remove --typeOut from ccd batch helper CI #1461: Commit 8a9ed2e pushed by wojdyr
14m 27s master
master
14m 27s
drg: fix N+ π-electron counting to match AceDRG isAromaticP CI #1460: Commit 81bcf33 pushed by wojdyr
14m 33s master
master
14m 33s
CodeQL CodeQL #165: Scheduled
1h 26m 41s master
master
1h 26m 41s
python: allow read-only arrays where write access is not required CI #1459: Commit 775fcce pushed by keitaroyam
15m 30s master
master
15m 30s
drg: use dynamic start level for multilevel bond lookup CI #1458: Commit 7c9a8dc pushed by wojdyr
14m 6s master
master
14m 6s
drg: add guanidinium group protonation CI #1457: Commit 714af73 pushed by wojdyr
13m 40s master
master
13m 40s
ccd/try.sh: add --only=atb to mondiff for focused comparison CI #1456: Commit 4e4c968 pushed by wojdyr
13m 29s master
master
13m 29s
ci.yml: use minimal debug info (-g1) and limit parallelism CI #1455: Commit 33249c3 pushed by wojdyr
14m 3s master
master
14m 3s
ccd/try.sh: support file paths in addition to monomer codes CI #1454: Commit bc1e55b pushed by wojdyr
14m 19s master
master
14m 19s
ci.yml: use shared libs for debug build to avoid OOM CI #1453: Commit 957b741 pushed by wojdyr
14m 39s master
master
14m 39s
.github/workflows/ci.yml: fix typo CI #1452: Commit a9b205d pushed by wojdyr
14m 4s master
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14m 4s
tweak try.sh CI #1451: Commit b1f2c2b pushed by wojdyr
18m 25s master
master
18m 25s
Add documentation for include/gemmi headers CI #1450: Pull request #402 opened by pemsley
Action required pemsley:master
pemsley:master
Action required
.github/workflows/ci.yml again CI #1449: Commit d67170f pushed by wojdyr
13m 53s master
master
13m 53s