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Merge pull request #2278 from briza81/CaviTracer-extra-options CI #2252: Commit 5ffabac pushed by karolamik13
9m 12s main
main
9m 12s
CaviTracer: mmCIF output, a truer lining measurement, and multi-frame fixes CI #2251: Pull request #2278 opened by briza81
10m 42s briza81:CaviTracer-extra-options
briza81:CaviTracer-extra-options
10m 42s
spawn-safe and order-safe parallel insty and watfinder fixes CI #2250: Pull request #2277 synchronize by jamesmkrieger
10m 2s jamesmkrieger:jamesk-claude/spawn-safe-parallel
jamesmkrieger:jamesk-claude/spawn-safe-parallel
10m 2s
spawn-safe and order-safe parallel insty and watfinder fixes CI #2249: Pull request #2277 synchronize by jamesmkrieger
18m 26s jamesmkrieger:jamesk-claude/spawn-safe-parallel
jamesmkrieger:jamesk-claude/spawn-safe-parallel
18m 26s
spawn-safe and order-safe parallel insty and watfinder fixes CI #2248: Pull request #2277 synchronize by jamesmkrieger
11m 33s jamesmkrieger:jamesk-claude/spawn-safe-parallel
jamesmkrieger:jamesk-claude/spawn-safe-parallel
11m 33s
spawn-safe and order-safe parallel insty and watfinder fixes CI #2247: Pull request #2277 synchronize by jamesmkrieger
13m 34s jamesmkrieger:jamesk-claude/spawn-safe-parallel
jamesmkrieger:jamesk-claude/spawn-safe-parallel
13m 34s
spawn-safe and order-safe parallel insty and watfinder fixes CI #2246: Pull request #2277 opened by jamesmkrieger
10m 18s jamesmkrieger:jamesk-claude/spawn-safe-parallel
jamesmkrieger:jamesk-claude/spawn-safe-parallel
10m 18s
writePDB(box=...) for CRYST1 and parsePDB(hexadecimal=True) override CI #2245: Pull request #2276 synchronize by jamesmkrieger
12m 57s jamesmkrieger:jamesk-claude/pdb-cryst1-and-hex
jamesmkrieger:jamesk-claude/pdb-cryst1-and-hex
12m 57s
Fix CHARMM PSF topology handling: cross-term width, term order, and topology under selection CI #2244: Pull request #2275 synchronize by jamesmkrieger
7m 57s jamesmkrieger:jamesk-claude/psf-topology-order
jamesmkrieger:jamesk-claude/psf-topology-order
7m 57s
writePDB(box=...) for CRYST1 and parsePDB(hexadecimal=True) override CI #2243: Pull request #2276 opened by jamesmkrieger
8m 6s jamesmkrieger:jamesk-claude/pdb-cryst1-and-hex
jamesmkrieger:jamesk-claude/pdb-cryst1-and-hex
8m 6s
Fix CHARMM PSF topology handling: cross-term width, term order, and topology under selection CI #2242: Pull request #2275 opened by jamesmkrieger
8m 39s jamesmkrieger:jamesk-claude/psf-topology-order
jamesmkrieger:jamesk-claude/psf-topology-order
8m 39s
Merge pull request #2274 from briza81/CaviTracer-more-robust-automati… CI #2241: Commit fa6acdc pushed by karolamik13
9m 32s main
main
9m 32s
CaviTracer more robust automatization and removal of similar channel alternatives CI #2240: Pull request #2274 opened by briza81
10m 10s briza81:CaviTracer-more-robust-automatization
briza81:CaviTracer-more-robust-automatization
10m 10s
Merge pull request #2272 from karolamik13/prody__main CI #2239: Commit 1f6a543 pushed by karolamik13
5m 1s main
main
5m 1s
Connecting channels with surface cavities CI #2238: Pull request #2272 synchronize by karolamik13
10m 39s karolamik13:prody__main
karolamik13:prody__main
10m 39s
Connecting channels with surface cavities CI #2237: Pull request #2272 opened by karolamik13
9m 28s karolamik13:prody__main
karolamik13:prody__main
9m 28s
Merge pull request #2270 from briza81/CaviTracer-multi-seed-channels CI #2236: Commit 32bd69e pushed by karolamik13
7m 54s main
main
7m 54s
fix three bugs in dynamics/analysis.py (dropped hinges, IndexError, wrong collectivity norm) CI #2235: Pull request #2262 synchronize by steps-re
7m 50s steps-re:fix/dynamics-hinges-collectivity
steps-re:fix/dynamics-hinges-collectivity
7m 50s
CaviTracer: seed channel searches per chamber, report chamber links, and name outputs after what they hold CI #2234: Pull request #2270 opened by briza81
8m 39s briza81:CaviTracer-multi-seed-channels
briza81:CaviTracer-multi-seed-channels
8m 39s
ANMD and ClustENM fixes and test fixes CI #2233: Pull request #2269 synchronize by jamesmkrieger
10m 12s jamesmkrieger:jamesk/anmd-openmm-and-input-checks
jamesmkrieger:jamesk/anmd-openmm-and-input-checks
10m 12s
Merge pull request #2264 from kontheodosiadis/main CI #2232: Commit a9fef5f pushed by karolamik13
8m 26s main
main
8m 26s
Merge pull request #2258 from jamesmkrieger/clustenm-multistart CI #2230: Commit e58c920 pushed by jamesmkrieger
9m 2s main
main
9m 2s
ANMD and ClustENM fixes and test fixes CI #2229: Pull request #2269 synchronize by jamesmkrieger
10m 3s jamesmkrieger:jamesk/anmd-openmm-and-input-checks
jamesmkrieger:jamesk/anmd-openmm-and-input-checks
10m 3s
ANMD and ClustENM fixes and test fixes CI #2228: Pull request #2269 synchronize by jamesmkrieger
10m 40s jamesmkrieger:jamesk/anmd-openmm-and-input-checks
jamesmkrieger:jamesk/anmd-openmm-and-input-checks
10m 40s
ANMD and ClustENM fixes and test fixes CI #2227: Pull request #2269 synchronize by jamesmkrieger
11m 5s jamesmkrieger:jamesk/anmd-openmm-and-input-checks
jamesmkrieger:jamesk/anmd-openmm-and-input-checks
11m 5s