rubabel-0.4.3

https://rubygems.org

rubabel

quick gemspec

.gem

.gem metadata (gemspec)

.gemspec

id: 353945

number: 0.4.3

platform: ruby

spec_sha256: f18a2e6e0b270c2628498e0f93442de15a9e39a85d2cd1b4ecc04875d9de356e

sha256: f5b1ff6e26bfafc76d708919b9d8e78b17930ad7bc12b378f8e9f955621e6cdb

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

updated_at: 2024-06-07 23:03:58 UTC

position: 0

version_data_entries_count: 51

uploaded_at: 2013-07-18 21:14:55 UTC

indexed: true

has_extensions:

extensions:

Gem size: 436 KB

Version Data Entries

Total: 51

Unpacked size: 739 KB

Full NameModeUIDGIDMtimeLinknameSizeSHA
.document1006640055 Bytes0050ed5b67fff8be1f7e1610fb2e9d4a3f5c826d65c82ede0828c633bacc925f
.gitignore10066400820 Bytes41d0d83765f369084fc392eab52432b4e6a60214ad45c94599d30d9209132322
.rspec100664008 Bytesd59fa712d58b2ac2197124fe6e24bf353111260fc3ed1c3304520c32ad00d128
Gemfile1006640092 Bytes05f239c73ea9be72a4affaa3ecd7ea25ce479cab59099b8cc7ec4fcc009514e0
LICENSE100664001.07 KBc901f2960bae4ee6c445578acec9035751b3dcde796576af606432959818654a
README.md100664006.81 KBe38f086efaee74e38efbd246435e5102dec6798e2e514b4ea84eb5ede3a10ea7
Rakefile10066400456 Bytes367efa9637195c7540a0f90367e152d691b6cdc246ee1d708bbe569b82a9940a
lib/rubabel.rb100664005.5 KB5733f5686292452cc40f5eeb4c670fa1ff80d88b819050c0a73d93881d02e66a
lib/rubabel/atom.rb1006640011 KB3756a49edd079b848db6d8a605a41d6077b6a3935841387a53ed7c21d2107c8f
lib/rubabel/bond.rb100664002.86 KB14c1ff621632d5bb0074638a8a74da419f252c8ecf58991deb2b7157795ec4eb
lib/rubabel/core_ext/enumerable.rb10066400290 Bytesdd065f8d961e4158d019ded937b2eb8f5a5a6b8f498bc8153abc4adc9aa99628
lib/rubabel/core_ext/putsv.rb10066400174 Bytesf4f4877e8ce89c54f8408ed0a95cef3a1280353044b8b9e40f5c9410a8d6267a
lib/rubabel/fingerprint.rb100664000 Bytese3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855
lib/rubabel/molecule.rb1006640026.1 KB830a96e3b4f5a0fe6ac147a26b7eedef6c4991b063ce7fa80538395bee11e95a
lib/rubabel/molecule_data.rb100664001.93 KBb73b3b07d5ee1360db33052d82b70a8615ff2177ffd52c5db12cf8ecb6652e61
lib/rubabel/pm.rb100664001.18 KB187fa7b3568bc2305484bff14f9f3a0f0ae20c337e96075b45cfda6dc1c08c19
lib/rubabel/smarts.rb10066400537 Bytesa14fef578ac856b4d32648c1686dd1f0c61535978730d7b95c1627f50e1bdc02
lib/rubabel/version.rb1006640039 Bytesd5628a76afb751d84e87a8596399a4c2089b5a2b2ff521d395950404522b2623
reference/OBConversion_methods.txt10066400677 Bytesd5ba97a6432c22399d1bb03dd10f62116d4e0888c68e036d622987107ff8e1b0
reference/arity_method_list.txt1006640063.9 KB036150cb7b2a43e7494cb9647542a687fa643ef00fdfd27695c956d9986802c5
reference/arity_method_list_CLASS.txt100664009.34 KB1d67afa4bb5bbea083e3118b0fc82488d5599218c9c949452384675f00de6b22
reference/atom_methods.txt100664001.98 KBe1ba9fd2e31271e0fc48305b8537e964ebe3445b1a4bfaac598be538cbfa01bf
reference/bond_methods.txt10066400898 Bytesdbe2ea726f8303883b67fd62f635310b39498211a393dfc790d4e2c506fd9675
reference/fragmentation_rules_.pdf10077500341 KBc85e1546385c8eecff4bedd4664f2bfc136ef92b2b973cc38367ad4805d6cf29
reference/get_methods.rb10066400942 Bytes51a53cf741ff6f46c98ffac9bbd34631a1ba435160a2edf6ee19924cc760485a
reference/installation_packages.txt10066400296 Bytese904c320b95e3933d9def3eeddb7bc14d5308fcd4c81bb7b44ad8d4692719f9a
reference/mol_methods.txt100664003.3 KB5846c2a65ddaa2e4d234644c32aabb0684f76ebbff01cab64eecc321d8251eee
rubabel.gemspec100664001.21 KBd4ad4f51d983e7f20687a9d83e3ea73841fe2c4460805e1b80bd3338a44ac043
spec/chemistry_toolkit_rosetta/README.txt1006640085 Bytes925789da05469b52603b03d64c7145477de4eb50f1021ab8721dbcbcfc62b758
spec/chemistry_toolkit_rosetta/benzodiazepine.sdf.gz100664006.72 KBbfcce4855770498a659841f9e7fde5b9281c6ce9be9d1fec5e45e2e18153aa7d
spec/chemistry_toolkit_rosetta/benzodiazepine.smi.gz10066400221 Bytesf945d681a69651aac05b8d3f4ed62bc104cbdaac57e64a890aa57d7e2b3b18fc
spec/chemistry_toolkit_rosetta/chemistry_toolkit_rosetta_spec.rb1006640012.1 KBd2a3fc0e85a409e6091e139ac5985795d262f322b1ff18aeaf5670f58164764e
spec/chemistry_toolkit_rosetta/key/3016_highlighted.rubabel.frozen.png1006640017.9 KB823f382260bc97d89a2af5d4066028809dbf2138d7e0eab4c8d529c81315539c
spec/chemistry_toolkit_rosetta/key/benzodiazepine_heavy_atom_counts.output.10.txt1006640030 Bytes621aee2bc773ab7fa571fb0241bc7215f7ed2a5e59779d0f742d22bae7cb6d2e
spec/chemistry_toolkit_rosetta/key/benzodiazepine_ring_counts.output.10.txt1006640020 Bytes7afe41dffa7eeb5f0c4ad6f5311642b663608e6180be5265e838145eca68e3c9
spec/chemistry_toolkit_rosetta/key/caffeine.frozen.png1006640015.2 KB7d2b7e9a8a131d42315dce82d0a1dc939377253c91b27872bb7bc854028b9f91
spec/chemistry_toolkit_rosetta/key/rule5.10.sdf1006640051.1 KB4170751b6d0ec410fd44f83940a874ae166c753bd424dd1971af9b3336ffbe83
spec/chemistry_toolkit_rosetta/tpsa.tab100664001.74 KB001e25f6f666ec07fc38b3a2c93aaf79e76a07b843842d79035ffbd7350db2e9
spec/rubabel/atom_spec.rb100664006.84 KB9532f9817093b0969a0c22db7edce8d37e3cb18bb8d5cb83d776579ad57c3ed3
spec/rubabel/bond_spec.rb100664001.88 KB47a82ac19edccb9052a77dc2a3766a57314abeed42427152e1b2ba60174ec9a0
spec/rubabel/molecule_data_spec.rb100664001.81 KBeaa57cadbdf965289bbe547dc48aeed65f1c215e8e591873b0616b2d04c10ff0
spec/rubabel/molecule_spec.rb1006640012.2 KBe5c1a28d7a54739bc68143512a62d2247036bc7ef25ab870e2f748f4e68d71cf
spec/rubabel_spec.rb100664002.42 KBe872654b4b99fb5fbf8c9b88d1b6181edb9ebf96529f91c5337b48636345cc4f
spec/spec_helper.rb100664001.14 KBe278d87bc34b8a0dea2ad973bbbae9b7a6ccf8d5d6fca030f8e2bb58234e59cb
spec/testfiles/7-oxocholesterol-d7.mol100664003.98 KBdadb0388e0415827fc378f1d0ff70262cc4da52d80c7f9fa105a10234fe2652d
spec/testfiles/7-oxocholesterol-d7.sdf100664004.52 KBbf05f715592e43c393b62bac1d6120c89fdb30cb2283acf4e91f146515dd2766
spec/testfiles/Samples.sdf1006640089.7 KBe9dc17fb8f9c8fb686afe2a0b2dce40bf9ca70b01112707de05327e3875677c4
spec/testfiles/Samples.sdf.gz1006640011.8 KB57dd21443a335a226e49e67d5bded97b9386653fe0d80d11711baf04f7b1339a
spec/testfiles/cholesterol.mol100664003.11 KBdc620b7600c49418168e5a25bd5629b80a90254805c82024cee869d421844588
spec/testfiles/cholesterol.sdf100664003.72 KBef7a40fe88e04b2486bf03e2f84722b089fa9cfa6418dd1a76c5be2047ba93ba
spec/testfiles/two.sdf100664008.24 KB2e43782c5a2a92d18dc586ef0ca56baba04dc412f641e12ca173cca3637389ce