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Update USER-GUIDE.md
test #399: Commit 8fa484f pushed by mwinokan
November 14, 2024 16:55 2m 16s master
November 14, 2024 16:55 2m 16s
added SDF to metadata
test #398: Commit 1f9b768 pushed by tdudgeon
November 5, 2024 14:04 2m 20s master
November 5, 2024 14:04 2m 20s
added SDF to metadata
test #397: Commit 1f9b768 pushed by tdudgeon
October 30, 2024 10:02 2m 17s combi_soaks
October 30, 2024 10:02 2m 17s
minor improvements to altlocs
test #396: Commit d0b51f1 pushed by tdudgeon
October 25, 2024 10:09 2m 21s combi_soaks
October 25, 2024 10:09 2m 21s
write out multiple mols for altlocs
test #395: Commit 572b2d6 pushed by tdudgeon
October 24, 2024 14:09 2m 22s combi_soaks
October 24, 2024 14:09 2m 22s
reformatting to keep linter happy
test #394: Commit 31fba3b pushed by tdudgeon
October 22, 2024 13:32 2m 11s combi_soaks
October 22, 2024 13:32 2m 11s
Merge branch 'master' into combi_soaks
test #393: Commit 5f974f2 pushed by tdudgeon
October 22, 2024 13:15 1m 21s combi_soaks
October 22, 2024 13:15 1m 21s
handle multiple CompoundSMILES and soaked vs. modeled
test #392: Commit 5a09200 pushed by tdudgeon
October 22, 2024 12:51 2m 16s combi_soaks
October 22, 2024 12:51 2m 16s
Fix for Ryan upload_2
test #391: Commit 830d3b7 pushed by ConorFWild
October 15, 2024 16:04 1m 21s master
October 15, 2024 16:04 1m 21s
Fix for Ryan upload_2
test #390: Commit 48d4cb5 pushed by ConorFWild
October 15, 2024 16:03 1m 29s master
October 15, 2024 16:03 1m 29s
Fix for Ryan upload_2
test #389: Commit 42857a6 pushed by ConorFWild
October 15, 2024 13:55 1m 22s master
October 15, 2024 13:55 1m 22s
initial handling of multiple compound codes
test #388: Commit d11a26a pushed by tdudgeon
October 13, 2024 08:28 2m 24s combi_soaks
October 13, 2024 08:28 2m 24s
added ligand name to ligand_binding_events entries
test #387: Commit 5183b06 pushed by tdudgeon
October 3, 2024 11:43 2m 12s combi_soaks
October 3, 2024 11:43 2m 12s
docs for combisoaks
test #386: Commit e034584 pushed by tdudgeon
October 2, 2024 15:24 2m 19s combi_soaks
October 2, 2024 15:24 2m 19s
added issue_1410
test #385: Commit 1165db2 pushed by tdudgeon
October 1, 2024 16:41 2m 21s combi_soaks
October 1, 2024 16:41 2m 21s
fix merge conflicts
test #384: Commit c92ff4a pushed by tdudgeon
October 1, 2024 16:15 2m 21s combi_soaks
October 1, 2024 16:15 2m 21s
Update DEV-GUIDE.md
test #383: Commit 5187db4 pushed by mwinokan
September 26, 2024 14:58 2m 25s master
September 26, 2024 14:58 2m 25s
more instructions
test #382: Commit 2ae45f0 pushed by mwinokan
September 26, 2024 14:54 2m 12s 2.1.6
September 26, 2024 14:54 2m 12s
more instructions
test #381: Commit 2ae45f0 pushed by tdudgeon
September 26, 2024 10:22 2m 14s master
September 26, 2024 10:22 2m 14s
fix error in instructions
test #380: Commit a9b2f9d pushed by tdudgeon
September 26, 2024 10:14 2m 16s master
September 26, 2024 10:14 2m 16s
added source_file property to crystallographic_files entries
test #379: Commit c6e6ded pushed by tdudgeon
September 25, 2024 09:48 1m 59s 2.1.5
September 25, 2024 09:48 1m 59s
style: Attempt to fix static analysis
test #378: Commit df59672 pushed by alanbchristie
September 18, 2024 09:32 3m 14s issue-1516
September 18, 2024 09:32 3m 14s
added source_file property to crystallographic_files entries
test #377: Commit c6e6ded pushed by tdudgeon
September 18, 2024 09:27 2m 18s master
September 18, 2024 09:27 2m 18s
build: Better gitignore
test #376: Commit b5d826c pushed by alanbchristie
September 18, 2024 09:23 1m 16s issue-1516
September 18, 2024 09:23 1m 16s
build: Better gitignore
test #375: Commit d41c3b5 pushed by alanbchristie
September 18, 2024 09:22 1m 22s issue-1516
September 18, 2024 09:22 1m 22s