rubabel-0.1.5

https://rubygems.org

id: 353936

number: 0.1.5

platform: ruby

spec_sha256: afa0383460b9bd0385f9a41742a15d2d5c670f0c9625d79e14587a004b12c2ec

sha256: 4519df940afbe9a9d447eb8dea858a9c7caffc583a0cd841d816f8664656d0ff

created_at: 2024-05-13 08:18:53 UTC

updated_at: 2024-06-07 23:03:51 UTC

position: 9

version_data_entries_count: 48

uploaded_at: 2012-08-08 23:43:13 UTC

indexed: true

has_extensions:

extensions:

Gem size: 400 KB

Version Data Entries

Total: 48

Unpacked size: 680 KB

Full Name	Mode	Size	SHA
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.rspec	664	8 Bytes	d59fa712d58b2ac2197124fe6e24bf353111260fc3ed1c3304520c32ad00d128
LICENSE	664	1.07 KB	c901f2960bae4ee6c445578acec9035751b3dcde796576af606432959818654a
README.rdoc	664	2.3 KB	4320dda854071f24e51ee7ba34c73085e8fff3436634a4d0331e4dd9866b5581
Rakefile	664	1.31 KB	709ec5a784bfdb3d06775c0d3920ad112d822c09d8ba964d3e123b328c28ced4
VERSION	664	5 Bytes	41709813c4666241d5ac7bd5aef08960c90632aa4e6b06cdad9389e163837336
bin/fragmenter.rb	775	1.08 KB	2a5b67676fd69a42260b603987e9d5c3029ced0ed58e0439f3d4f45120fce4f8
lib/rubabel.rb	664	4.95 KB	b311d902f29aff7c1c4965c4a633141548b9474fdb7bfddf3e4c7975a2e0335b
lib/rubabel/atom.rb	664	4.79 KB	8e04ef1f73a2ac1bc68c3e2f20f01a3fe20fcb297954f6167bef4bfa4b1ba2c1
lib/rubabel/bond.rb	664	1.57 KB	75427da47078f83c328f67933cba3f9c60e4ab9072a8199d29c77d847354787e
lib/rubabel/core_ext/enumerable.rb	664	290 Bytes	dd065f8d961e4158d019ded937b2eb8f5a5a6b8f498bc8153abc4adc9aa99628
lib/rubabel/core_ext/putsv.rb	664	174 Bytes	f4f4877e8ce89c54f8408ed0a95cef3a1280353044b8b9e40f5c9410a8d6267a
lib/rubabel/fingerprint.rb	664	0 Bytes	e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855
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lib/rubabel/molecule/fragmentable.rb	664	9.4 KB	35e76ab16c49635e5e5c24c3749ed4b7345add9a3774fbd645edb54a2612d618
lib/rubabel/molecule_data.rb	664	1.93 KB	b73b3b07d5ee1360db33052d82b70a8615ff2177ffd52c5db12cf8ecb6652e61
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lib/rubabel/smarts.rb	664	537 Bytes	a14fef578ac856b4d32648c1686dd1f0c61535978730d7b95c1627f50e1bdc02
reference/OBConversion_methods.txt	664	677 Bytes	d5ba97a6432c22399d1bb03dd10f62116d4e0888c68e036d622987107ff8e1b0
reference/arity_method_list.txt	664	63.9 KB	036150cb7b2a43e7494cb9647542a687fa643ef00fdfd27695c956d9986802c5
reference/arity_method_list_CLASS.txt	664	9.34 KB	1d67afa4bb5bbea083e3118b0fc82488d5599218c9c949452384675f00de6b22
reference/atom_methods.txt	664	1.98 KB	e1ba9fd2e31271e0fc48305b8537e964ebe3445b1a4bfaac598be538cbfa01bf
reference/bond_methods.txt	664	898 Bytes	dbe2ea726f8303883b67fd62f635310b39498211a393dfc790d4e2c506fd9675
reference/fragmentation_rules_.pdf	775	341 KB	c85e1546385c8eecff4bedd4664f2bfc136ef92b2b973cc38367ad4805d6cf29
reference/get_methods.rb	664	942 Bytes	51a53cf741ff6f46c98ffac9bbd34631a1ba435160a2edf6ee19924cc760485a
reference/mol_methods.txt	664	3.3 KB	5846c2a65ddaa2e4d234644c32aabb0684f76ebbff01cab64eecc321d8251eee
rubabel.gemspec	664	3.57 KB	a0661a556277eb3f28ae1d5d25e72a5b05141378252c33306c9bbc7f4ba3eb68
spec/chemistry_toolkit_rosetta/README.txt	664	85 Bytes	925789da05469b52603b03d64c7145477de4eb50f1021ab8721dbcbcfc62b758
spec/chemistry_toolkit_rosetta/benzodiazepine.sdf.gz	664	6.72 KB	bfcce4855770498a659841f9e7fde5b9281c6ce9be9d1fec5e45e2e18153aa7d
spec/chemistry_toolkit_rosetta/benzodiazepine.smi.gz	664	221 Bytes	f945d681a69651aac05b8d3f4ed62bc104cbdaac57e64a890aa57d7e2b3b18fc
spec/chemistry_toolkit_rosetta/chemistry_toolkit_rosetta_spec.rb	664	7.55 KB	9faf3c42fb661cfb0ba124724587a2d0d3637f81423b56c5ea50952567acc4b9
spec/chemistry_toolkit_rosetta/key/benzodiazepine_heavy_atom_counts.output.10.txt	664	30 Bytes	621aee2bc773ab7fa571fb0241bc7215f7ed2a5e59779d0f742d22bae7cb6d2e
spec/chemistry_toolkit_rosetta/key/benzodiazepine_ring_counts.output.10.txt	664	20 Bytes	7afe41dffa7eeb5f0c4ad6f5311642b663608e6180be5265e838145eca68e3c9
spec/chemistry_toolkit_rosetta/key/rule5.10.sdf	664	51.1 KB	4170751b6d0ec410fd44f83940a874ae166c753bd424dd1971af9b3336ffbe83
spec/rubabel/atom_spec.rb	664	1.92 KB	165ed3924f62482227b67e7c47fec33ed724e2f9edeacf334ef4843f394bc0db
spec/rubabel/bond_spec.rb	664	426 Bytes	d7cb81d9d00ea8ee5c7e611b2d50c8b9233f9bf77f65aa3e0234fcf0680ebb3c
spec/rubabel/molecule/fragmentable_spec.rb	664	4.52 KB	09072cd7a202fb1bfa81bac2c47a9f45df2acea7f46281fbb1aae5874208a92b
spec/rubabel/molecule_data_spec.rb	664	1.81 KB	eaa57cadbdf965289bbe547dc48aeed65f1c215e8e591873b0616b2d04c10ff0
spec/rubabel/molecule_spec.rb	664	7.36 KB	bc6609522665600d9b59ad293875cf6170ae66b3c5ada01d779610bd101f4afd
spec/rubabel_spec.rb	664	2.42 KB	e872654b4b99fb5fbf8c9b88d1b6181edb9ebf96529f91c5337b48636345cc4f
spec/spec_helper.rb	664	1.09 KB	238cc99982161ae086f9bfb6c2a234129863543a692d7dc0ea0d43c24ef80cc9
spec/testfiles/7-oxocholesterol-d7.mol	664	3.98 KB	dadb0388e0415827fc378f1d0ff70262cc4da52d80c7f9fa105a10234fe2652d
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spec/testfiles/cholesterol.mol	664	3.11 KB	dc620b7600c49418168e5a25bd5629b80a90254805c82024cee869d421844588
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