rubabel-0.1.6

https://rubygems.org

id: 353937

number: 0.1.6

platform: ruby

spec_sha256: 29d53b0880aeeecbd2b1ccf2d7af4a87f07fe76f6f5eb4d5f599491a6dbd101d

sha256: 0d01ddd1cf23b9c75ef178e4683d144cb35567d608419812217a710d7728bbaa

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

updated_at: 2024-06-07 23:03:52 UTC

position: 8

version_data_entries_count: 50

uploaded_at: 2012-09-06 05:52:07 UTC

indexed: true

has_extensions:

extensions:

Gem size: 431 KB

Version Data Entries

Total: 50

Unpacked size: 724 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	1.34 KB	28e6d836f717eb03ced98bb9dc88a05ffba635678deab1b45db8b3f5c5a5ec75
VERSION	664	5 Bytes	52cebe7a4ad2b5e462c257d8f92deb4259832c2672044540060188fba604b064
bin/fragmenter.rb	775	1.08 KB	2a5b67676fd69a42260b603987e9d5c3029ced0ed58e0439f3d4f45120fce4f8
lib/rubabel.rb	664	4.71 KB	da774c0ba0fe3a98905b3b195cf1130411b1a805b7aa99608a48b6f99a4d8e05
lib/rubabel/atom.rb	664	4.88 KB	43dd47f7054688c4483efd1b181ea5dea2c264f48e44cde54180b257b88ba3ab
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
lib/rubabel/pm.rb	664	1.18 KB	187fa7b3568bc2305484bff14f9f3a0f0ae20c337e96075b45cfda6dc1c08c19
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
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	11.8 KB	05b8d875bea021c479fe02eb9dbe8db9d6d39824832eea7454625768d651b58d
spec/chemistry_toolkit_rosetta/key/3016_highlighted.rubabel.frozen.png	664	17.9 KB	823f382260bc97d89a2af5d4066028809dbf2138d7e0eab4c8d529c81315539c
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/caffeine.frozen.png	664	15.2 KB	7d2b7e9a8a131d42315dce82d0a1dc939377253c91b27872bb7bc854028b9f91
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spec/chemistry_toolkit_rosetta/tpsa.tab	664	1.74 KB	001e25f6f666ec07fc38b3a2c93aaf79e76a07b843842d79035ffbd7350db2e9
spec/rubabel/atom_spec.rb	664	1.87 KB	41a4e0a3aa3708333afb4791ee2e8f2bdde819b4336bab3c3da99164ae1d1cca
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	8.3 KB	5fc4dca1557d15462b028198ef84636292ed62a7909283e820f050c4dc9aa82e
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/Samples.sdf	664	89.7 KB	e9dc17fb8f9c8fb686afe2a0b2dce40bf9ca70b01112707de05327e3875677c4
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spec/testfiles/cholesterol.mol	664	3.11 KB	dc620b7600c49418168e5a25bd5629b80a90254805c82024cee869d421844588
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