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update tests for latest rdkit Build docs #76: Commit 48f0d8b pushed by stefdoerr
September 11, 2024 08:10 2m 48s 1.9.8
1.9.8
September 11, 2024 08:10 2m 48s
ignore Molecule serials when writing CIF files are renumber them Build docs #75: Commit 5748343 pushed by stefdoerr
September 11, 2024 06:54 2m 53s 1.9.7
1.9.7
September 11, 2024 06:54 2m 53s
fixes issue #137 Build docs #74: Commit 43ea4af pushed by stefdoerr
September 9, 2024 07:05 3m 4s 1.9.6
1.9.6
September 9, 2024 07:05 3m 4s
add option for reading also non-covalent bonds. mostly used for PDB c… Build docs #73: Commit fc66223 pushed by stefdoerr
July 17, 2024 12:31 3m 13s 1.9.5
1.9.5
July 17, 2024 12:31 3m 13s
more correct pdb caching Build docs #72: Commit 1c4c3f8 pushed by stefdoerr
July 12, 2024 07:30 2m 57s 1.9.4
1.9.4
July 12, 2024 07:30 2m 57s
fix msgpack dependency issue Build docs #71: Commit 4130a41 pushed by stefdoerr
July 11, 2024 14:06 2m 56s 1.9.3
1.9.3
July 11, 2024 14:06 2m 56s
wrong pypa image Build docs #70: Commit e4c2bdb pushed by stefdoerr
July 11, 2024 12:52 3m 0s 1.9.2
1.9.2
July 11, 2024 12:52 3m 0s
msgpack from anaconda. GH actions checkout move to v4. New manylinux … Build docs #69: Commit 2287ce2 pushed by stefdoerr
July 11, 2024 11:19 2m 57s 1.9.1
1.9.1
July 11, 2024 11:19 2m 57s
lwoer mmtf Build docs #68: Commit 3db53ca pushed by stefdoerr
July 11, 2024 10:43 2m 57s 1.9.0
1.9.0
July 11, 2024 10:43 2m 57s
don't pull PDBs from RCSB in writer tests Build docs #67: Commit 8047ecf pushed by stefdoerr
July 9, 2024 13:48 3m 5s 1.8.38
1.8.38
July 9, 2024 13:48 3m 5s
added some comments to CIF reader for posteriority Build docs #66: Commit 74fc804 pushed by stefdoerr
July 9, 2024 12:58 3m 0s 1.8.37
1.8.37
July 9, 2024 12:58 3m 0s