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Proper test of ncs presence - if the ncs search was run but found not… clutter_and_syntax #388: Commit 4f9147a pushed by Anthchirp
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Proper test of ncs presence - if the ncs search was run but found not… quick #159: Commit 4f9147a pushed by Anthchirp
1h 19m 27s master
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1h 19m 27s
reference_model: turn side_chain off by default, adjusting tests. clutter_and_syntax #387: Commit 52db123 pushed by Anthchirp
56s master
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reference_model: turn side_chain off by default, adjusting tests. quick #158: Commit 52db123 pushed by Anthchirp
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1h 21m 20s
improve debugging clutter_and_syntax #386: Commit 9fbbde5 pushed by Anthchirp
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improve debugging quick #157: Commit 9fbbde5 pushed by Anthchirp
1h 18m 11s master
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1h 18m 11s
major changes for V3 NA names clutter_and_syntax #385: Commit 2ccf69e pushed by Anthchirp
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major changes for V3 NA names quick #156: Commit 2ccf69e pushed by Anthchirp
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1h 8m 26s
Use default RHF for closed-shell singlets in MOPAC input. (#1205) quick #155: Commit 120581f pushed by Anthchirp
1h 15m 27s master
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Use default RHF for closed-shell singlets in MOPAC input. (#1205) clutter_and_syntax #384: Commit 120581f pushed by Anthchirp
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conda: update static environments clutter_and_syntax #383: Commit 9e5d380 pushed by Anthchirp
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conda: update static environments quick #154: Commit 9e5d380 pushed by Anthchirp
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Prepare branch for DIALS 3.30 release quick #153: Commit 35987b6 pushed by DiamondLightSource-build-server
1h 5m 21s dials-3.30rc
dials-3.30rc
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Prepare branch for DIALS 3.30 release clutter_and_syntax #382: Commit 35987b6 pushed by DiamondLightSource-build-server
1m 7s dials-3.30rc
dials-3.30rc
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Ligand validation: Cleanup. quick #152: Commit dc36145 pushed by Anthchirp
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Ligand validation: Cleanup. clutter_and_syntax #381: Commit dc36145 pushed by Anthchirp
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Swithing to short urls for rcsb model fetching - consistent with what… quick #151: Commit c773887 pushed by Anthchirp
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Swithing to short urls for rcsb model fetching - consistent with what… clutter_and_syntax #380: Commit c773887 pushed by Anthchirp
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Fix reduce2 His flip breaking user-defined bonds (#1199) (#1208) quick #150: Commit 7e6bb41 pushed by Anthchirp
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Fix reduce2 His flip breaking user-defined bonds (#1199) (#1208) clutter_and_syntax #379: Commit 7e6bb41 pushed by Anthchirp
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Reference-model H-bonds: skip pairs already restrained by user edits clutter_and_syntax #378: Commit eb331f7 pushed by Anthchirp
1m 31s master
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Reference-model H-bonds: skip pairs already restrained by user edits quick #149: Commit eb331f7 pushed by Anthchirp
1h 18m 46s master
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1h 18m 46s
clashscore2: add ignore_missing_restraints for models with unknown li… clutter_and_syntax #377: Commit 9f4c71c pushed by Anthchirp
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clashscore2: add ignore_missing_restraints for models with unknown li… quick #148: Commit 9f4c71c pushed by Anthchirp
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Test for reduce2: flipping when custom bond is present. Not in the ru… clutter_and_syntax #376: Commit cf6a9d3 pushed by Anthchirp
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