DATA metadata.xml 1470 BLAKE2B 209908170d996f314ada38df4ed305bffdf0c5f68c23f6ced522d0d4dcf3d2604fc53e6d51ea1632363a0dfc8252f321ce472708bec31e7deee0b832f50a40f0 SHA512 8da6daa68db92d2b2878d6171ee0cb9724f38efc7efe5e321f18f7831d0a52a6a23bfbe92ebe24bf9a9ed03473d3c68e43fb9f15dc771d3f8129d91c7976a2f0
MANIFEST GromacsWrapper/Manifest 921 BLAKE2B 4c21b0b2d60b56d77a610d74322aca1cd1a09095d2934908bdbd52f85f280a40acb0d16514061a3bef0460c8b877cfc1ca5fdf8185cffbfa2a8acf88e3911cd2 SHA512 f113474278bb549e2b1954fcfb0314f33f71e85a55e2302d0115f59e7b3449dacda8d393fa781277e9934a9eae6435d71d228e5c430476531d1c7d5628cec0be
MANIFEST MDAnalysis/Manifest 1543 BLAKE2B 58ff54712d8d8aa7de094ef21f51e6e16557a060a23fb794d8920c7cbd61fd85a0b4392d6460649a742a0f937f2ef4a0c9635d14856874d5e48ff1c7af7e530a SHA512 50a6035e5cb3c98eacfff868dba23b6afa942b1c78f52d08ef80e8a580d101a3d712ce67ed98a06a89cd2a4e583a76179f3128e9e31b997ffc6944ce06509db1
MANIFEST ParmEd/Manifest 2453 BLAKE2B 6fc70272fd79ad86b4b22ffb3cd83f4c4a0ad29a13bcc6212343ca1754a9d879b275277afe8ea2099b3cb69f3222f732931e966f0164ebf11f4c7c85be426a54 SHA512 fc0f875afdadaeaa16c04db9b7685aaff0bdaa52008c3697c538dd2d8a05ed4e1d2f72c841ebfb4a30edc29fdd6743f81c3a2b46dfb9cc3459b7f5126f702040
MANIFEST autodock/Manifest 1565 BLAKE2B 8bc9c896051008f27bc880120688f9f604552a351768eb657f1a19168a04010b6f629a82789514c32298017315094c4cf083ff18b782551159a04b2c7ec18dac SHA512 c289fd7cc9776608d32a81f1ba172111cf403b9e14294cca51b4bb473d515b80be31b408642097cc53a4dcd3bd2c6d4bb27b86a1208b8d0ea3a765c5ed27f9a6
MANIFEST autodock_vina/Manifest 1237 BLAKE2B b065d872e8dbda4303b92fa8db4150415936fb62ca312f6c25bd45d157a6f6cf6ad6ca6d07e0f379b48ab17a2feda7677d343e41412ae106b77416a8e3b0a929 SHA512 95e80054113702e8fb4c5faf02584e332506b862cde9989dea86d8a3659a1f15c102a94dd79d859b9e37a0a2a803f219b6dcc2ddc542f6955f08500da51885a6
MANIFEST avogadro2/Manifest 2163 BLAKE2B 272e88d178a8a219751e1af3c1b1e84b4397d960f72384dec34d20d0eea8548a6c7796c30126d1d3772b14493766ba97764fe1e9c11bdc5d1efe27ef308f4d40 SHA512 66019bc14c18bdb1f2906a962a30bc960a5079e8086b7dfa2cd9450df2a01932a650cf096fc831a3841c13ac9899a241bff028480fc9a96727837a58230ca25a
MANIFEST bodr/Manifest 895 BLAKE2B 5a687519fcb0a6116b11ec1da21db8df01ef81bde02d057b3234344c00bc7af9deeab132c3de84e5630f4cd3eeb7bede011bafb204c6055d87a1d24c61b14cf0 SHA512 c0c9d276e3d2842eb216aa204f0592c6a6bf9a2d18b101bbcc64c526e276f3bc1a74cc7c70e9f73d26ff5e7b9de5b896a8bb6f87cf6b43e151da299886d9c05f
MANIFEST cara-bin/Manifest 1212 BLAKE2B 794efb578a4bc58c0fdb292ea38806f1650d7a9c486045a11f845ec689ec91b48c5420d963498ad937eed1101d741816937875c9f357e29379f1fc9089b7503d SHA512 24947b28dea300dc23a5e1090bfb7bc7c19398896ffb6068ce44c839c5cf8e36bdb600d7452c16992ea1bf37a6052f63e82fe2fcf3015bb93823e2076b13621d
MANIFEST chemex/Manifest 1527 BLAKE2B 0dc43c95bf5a76059e7d48b717bb83567539f3a0dc00ee275cd10b0790274c3be90401a4e5addf01e069b962399d73a7b2d7d184800f1329adf19d865b18166a SHA512 39322f2d0d81f036ad24a9bdd51df32df0337ffc0cdbb7eb5450c0e2aa63bbb1605459acc669977a59adf158979e7aa889f672a891825082a0a0cf5d21074611
MANIFEST chemical-mime-data/Manifest 1278 BLAKE2B e16977319b4692127af6f1c91b3adab3e7feef4d2f2d8122d520d7d8e8b8d68d0ad17a39d19958a8dc44ae8a4bae152912187173f3c4600c2394bc386d3693c2 SHA512 f38f5722da926c98918265f567b21131246643f0ea79288d96b84f1398c1230f9232bd053d6bdda311f0d12ae4814be355fc4e86bfef8fd3941eca46851d0224
MANIFEST chemtool/Manifest 2156 BLAKE2B a9de11bfc485e1da2ee969dc16957690c42b11a41da91f8eff31a555faace758803ab7aa2ada97bddeac90e5320ae377cc8f5e76f0477fa2e0c43d65f5c83df3 SHA512 d0102a9a3693ce32bc1e64dc3681a3555b66cc03e4e41b8bc706782c01ec1430a661f4df159c72c31a72840fab050e4f246cd522ebc4079b1b748d3d6ba9de71
MANIFEST clashlist/Manifest 911 BLAKE2B 1702338ed10ffcc73236b37875e2405ca6ba9d5c8fc20bbbfb4581018a430c7187cb072b8ebf31460a8cb00b23c614605fa3b06d75fb5b4b825ea5e3b3ca8be6 SHA512 15ea55b4c9765dfa020a9f6fdd7aea93d359019a7a44414f2f80fc53ae411f3c898e840828a3f766203a69a0d0f03cce437c8bc00f58e69631d851fe2d47955b
MANIFEST cluster/Manifest 2157 BLAKE2B d8b76240fc19d776c0e834db8b9d9970e7ca5561f55d61acde467617cb68a4d467efe0f2bbd465a8d6ee6e27a33694f22207e45a5265b701fdb13fcb2a712a86 SHA512 b4f2207ab587ec188f7d0003a0d69abe90af807a913d5cc5fda3e079bf4d1983c41d620d974e2c981f87b3c3ddbaae94cc2930edd319aa22dd356849ac8ed47b
MANIFEST dssp/Manifest 3633 BLAKE2B e0510d438d95218bd4317454c40bb38f9b69e54df879dc905ca9479319424b8943e5d1c7bb5c61dd1960e7f25dd05c2266fa8c921d2b16af9ca26b4f928c6678 SHA512 31f74579f8ffb78842f895ecc4ddc35333e2d0c7677c73ed7aa9617b64b709e398f1ac24d7b04ffeeab91bfa3ac97224a29b466d4df364bbec463d2d7eea6ee8
MANIFEST easychem/Manifest 1518 BLAKE2B 31757eed29218fe8fac63ab51e6a505ede75e18435af1b0ca2b7b2a85308dea9670228cdd550c53735e04f865375563e21360e4f2d0b6696170a6aebbbd64055 SHA512 c1f3c7dedc6919196f9549c8b9b2764c1b89ad2194e591b6417605090422ec2f05489950f6b783d3e93042c6896b86c9d7bb5f4b9b76bf7a905e39f4e2c54383
MANIFEST elem/Manifest 1847 BLAKE2B c4234b7cb8abd858356fbebfbd4babe8cb89ad53ab6014c59513a765cdd6813c41a1c1be737a130b7adbb24829b3763cc279ee49c1162b6d92daf35916d8b5a3 SHA512 90b5c9f81a795edb776aa6217aad9d4b602f76cb5af5f2147b1b094b4365ecd2e301889708954b211d454ebe4644f09816d063006847f16a4a489235ba41591f
MANIFEST gelemental/Manifest 1223 BLAKE2B dee52190f762d44a715369095dd10254ce602e60cfc1759142de9d5a0d7d3905a077d4bbbb36a00c85db0601357174b3e52efa5060cc87aab3a199947242b4e7 SHA512 58c6d26d2d9787a00ca19cae7e3328f93a3deb022c152adb5bb6b5e0f755e3a6897c8d67fd4e1d3b6bd15fe7992093f872a284bd242ad3a8ff20d46e07f0cdb5
MANIFEST gnome-chemistry-utils/Manifest 2257 BLAKE2B 67bbe450e5cbb1971ac6ac561a34d4dc4b1560e829300243b05591ad3744e21046f54b578898fe816b5b84c2242360c860c695b62415f85b38d781c96a750316 SHA512 ca2ece8d4f4b8b60be062864414c02bbb081dbfea64e4bf7a9f19d2b86007235c3336a8621d9932ff9c1ce5a7d3e43bb58941aa6c177769bd9d90fc3ed0c3f19
MANIFEST gperiodic/Manifest 1238 BLAKE2B 8b0381f24694b4bbd49370a5486b926e4e5a3863b53b79646e828a7ff91118959f865f6b901067134db3db7e324deb1af2f3120edba0df1ae646e2e652fe5f68 SHA512 e5ba98c7fd1f54bbf3c9b14485a476123219b966a29e90a6a933fc979fabe252670cf2677964e8d3a0c61d25b07487b5e441325187714e1cb15c6f8b4ac32bb0
MANIFEST gromacs/Manifest 8947 BLAKE2B 64a2de7696ba6c09f738a322ff728656f27af02d2da7a26cfd7aae84d74ff2a3cab690e6e1736360946402ef9f78609a67c36afb1bc6e1b02c0c592eade456a9 SHA512 1579c34e767580bc8f3cdbdd12c1015b7384325a2a33bedcbdf460d3ede2dadb7fd36e2eba7b81e207b5373e793a3ff99fd948a643f023b40dddcb68bb4aa76c
MANIFEST ksdssp/Manifest 907 BLAKE2B 928fdfd50b355d87ff7b2f89282b83639dcc71983a9ab54dc52f723a4943982249d71a5ec78ef00fa1260742a9a30b5ec0f7a4e5c12fd5b4326c707d16c486f3 SHA512 4636af52353661c4e888c839f30cb412ae5f991fc263ebf3d69343ff9b5a5eaa59c4a9ffb0f4498653be8065c4bdcc6ebcc907df86814f54f0f852666b95af13
MANIFEST mdtraj/Manifest 1840 BLAKE2B 966f4f9f28de6e4647b4845e45deb11e4e98cca2300562050c9b1acba50d66e01766842030a3ddecdaaf21c92ca76c84831f371b3a1fd64212e8724626f4a9e9 SHA512 7223f18be2461e600209aeacc69bb3820b02866f16233ebd749968038444eafbcab013523a522d1e5306d7fd3dd9a732f5bf82fb98e6ca388a467bebabac9c1c
MANIFEST moldy/Manifest 1210 BLAKE2B 1b3041fd4a34bd39679e7184f77963b16a96e1ad642060c096f92c225e5856157c53b9d72d1f840e904084277d0ed35e546d5bf79d440dc4c7e78612081d17eb SHA512 0d57e927131b9c65534a590c8917a6202cc0773ba7a6355d1ae92952b9e35ce6f0c64d726daa76abfe30cebe438e8574db2ffbdb64cb6251adf034f2b53e9af1
MANIFEST molmol/Manifest 2459 BLAKE2B 6f32861c6b47754a4f6e94214957a79bdd8de1c47193af57f883ead684285bfe1cf686ebc9c68e2cf34af4f6b9610f1acdea9576f52fb992732c68a272a6edfe SHA512 05ae6d45b2a7997af675447e37e8385d9275f4bda461c9e3a750f496a626825df655096eb062710a87d5e9d28669b43d0bed83d032a41bcc9d648429fd739203
MANIFEST molsketch/Manifest 1535 BLAKE2B f12ac3cfd5d8a3cad6241c768e8a01e149e59707a4fed4da24ec6e3312449f052008b870d1b68bb3a461e9badc8e13159d387f6e12993b4bc556ad5fd4b5c0a7 SHA512 21cca0beb44abf055e71b9c44a9c99f15e540d84ed3258ab709cb5b11ffea1b910d5eadb676bf7301140a447e5ad182528ccbe232d07590ec62dd956ede9fd3d
MANIFEST mpqc/Manifest 2772 BLAKE2B bf4049bed626a6ce603a4e62d23e75c06b5b82553fbfce724505eadb87a0f653471604a29444c9d2615ba69e45a47982b360322aa6d34f3ddccb9cc8cdac233c SHA512 972a748f2fc3c037f5306a8aaba5cc5c47d014314a43d61ee9200fb70fb07c66cc1e9b878ef76e7415642f70e20f99d0e48373f4b29921eb3b40dcba973e1566
MANIFEST msms-bin/Manifest 1233 BLAKE2B efb1b9b9203a44c1291847b6e67342b29ea443fbbb0e7f92f916b0d80430d6cb2b2bb5033405d456ae36fc2cd45f1379b27174900ff85e2b687282ba6c503537 SHA512 61cf419df044ff3b1fcffe702373125d8caba752ef56de8366adec6dd8f76f382075276f4cc2d9cb201a217f086f58887cc29fe54265082fa48c48212203d644
MANIFEST mustang/Manifest 1214 BLAKE2B 1b96d390d161149bc95ec7607147fa55e10790d9b8df60aa533ba8f9209008f3a9dff888e29e62c7fd6a8c0f89cb98b9d6072e7250abc5910bdebbdce3b9a91e SHA512 333eebbaf36d400495f59f30278ae5d108bd8a5dd04d04160f1b4675c3cfc348afbd555e4b9a1f9bb4e3f008a7e67b6a164ca9d9c0fbec40ac33c0aa5362f2b7
MANIFEST openbabel/Manifest 3758 BLAKE2B b8eb3a7cd12e5a8bcd38ed66fbe3e1440aaf02c9ba9733373e12b140bcceab7aae3e818ce1a7cb5e1ea3c48a7784edb6ad82d3524d8b2e8565d361a7e7932dd8 SHA512 d0937c92ecb67d076e0bb814dd95302083f8c13d8c742b55f945cef7ea0886de23c666c00d699b367077540412572d8fc1ea241ccb616d3585043cf513954c65
MANIFEST pdbcat/Manifest 1501 BLAKE2B 789e0d02910e991dc111e76d688f3ba60e1e94d41bb67f40376d0eb078d16f3951707e1a9398974a131c95ce299401839fda112f95666a7e2f4e611bb425ee86 SHA512 fc47e999290575524a94243253521ccdd7af3eac020bde40823b431ae792510c23f3cc7810dfbd998895cc45a26b030a69b7b02070345dc347c5d12e450830a6
MANIFEST pdbcns/Manifest 914 BLAKE2B 128032c96bccc8ea4954d5f69046c14733193a6bad064b67e1673fb3433da271fc8bc3735d26432846a28c1eb245a604d41f0b848b39b3747af16655d069a7b6 SHA512 8af41dea70d89672c5b39e9d3a65e18f1fed8f13d191bc0042a46f51c53df8e4f900f4f90141a1d2c022396bd002f64a49004f66524463b91f6bfe5a0424d958
MANIFEST pdbmat/Manifest 1202 BLAKE2B 9c22f7124549ca97bdb042d58b39d97b99f7ed8f2e84a196748e5e5b0617aaa88562fe550d83822ea905c17048e408af1c2cf50a9951426a6efdc12a327b986f SHA512 55fa8afb27ce29010a7f32341a0016560a4fc2db2b34f4f5166a7f1b52d83f3ac51ae8e8e92e4215175eec7eae6b27c433d58469104337b0740f87292d8224a9
MANIFEST probe/Manifest 1527 BLAKE2B de161de30eedbd35c009a99fe510b3d448e62f24148bc08675105b4c828f53a91ee81817ac9c3d6f968c78cdc55a1699857725ef5f408b363135ef475ab50afb SHA512 e4b345a97eb8069cf88d1fedae44e6ec415b0ed26f135bc76694f2458efd391454e25ae06fdb855a1c8ea69bc6dd326b70f5bca3d527b3edc606f4e4b63d2171
MANIFEST propka/Manifest 1525 BLAKE2B 79d5f4cad447503d7a47b901176fdcc5e030e00c77f146b9b6f0ef9baf6bcc30f1ed5ab526f5a25facd9befbb267c10f3ad11ea706f60f7f4ce99caf47bdc217 SHA512 d48773795834e20baadb1e3a94905ec5c556749d35f87ce25ef3379dc1e96fc69294bf82cefa67973cc9d559abe68134d73db7f3fffa4e9ece6f87297fabac5e
MANIFEST psi/Manifest 4578 BLAKE2B f8d37f06df91aeac53d217e0bc23693ddc43ebcc2439c84a378b2a27691e722fba3b32d4248fce2bfcb75d229427f1fe676c805b39d923bdc6348e99e3d703d3 SHA512 29ed408b71b7b131917cb8ad911ca8b112789ecd69bed23451142cd62c49f73309760e515cb9cb4d9a4db1732a04f3d724dfba269b8e316a4ea5370d0ce0dc52
MANIFEST pymol/Manifest 908 BLAKE2B 4d99678ffa5ba58426c33323ba8348668b0665817ca0538599c7ad792ee51c9715f63023fd01fcc341923dafb68b6dfcaca8e625fca833fefdb984b48e975fe7 SHA512 8904498f29b920824d6cf1f50af9061c76ed793f345240ea1ac31dedec27e6eac86519ca242a397d55dc8d981eab96004a38d79c0f1d0ec0c8f5917bfc67594a
MANIFEST raster3d/Manifest 1521 BLAKE2B 6f0795946cd629758cf64641036dc55fb89a5ab0e8a5cb57399468eda48edac89b33d5ac5f56f73d46be19d9b1a4e08cddc6c7abf87d0a29a7ce2d4e7f781966 SHA512 0f152fbfc7e98b1b26e3979ac636f69ea1778a037b893bc1add3d3eb371e1c73bc4b071ff20f1e9c9e4f9c6118aae7a1633bc34f7eb70b87ba72c0fbacdc377a
MANIFEST suitename/Manifest 1577 BLAKE2B 4eb5dd847a2ab77182a12d7d5953e62ac25feecff21c1ad44ba0aec6880fae292f6b7f05ce24397235321adecb3357bc63ea17588245f530418246e64a7fecf3 SHA512 a0aca803d73c473a426ae7ff3d49b51fb925c688c82dd45b41761955720cacf46246f9f6cbcc78310edfe8e594aa7bea380beaf2083653c4e293fd6b3c849d88
MANIFEST surf/Manifest 1510 BLAKE2B 5b3e57931444541350ef13a173229ed0dfa67c8847b13fe71a447430a933402fac641bcf9b275641b50616ef73315c8b8eab0235120d8bde0832d62c52366c98 SHA512 335615e0ec8a3f6fe92b16815aebec5a8d3fd2607d2b99e4c5d593822a9f93e782b568e547804f67776ee41b5c26221d02d12b66bcc6659c6b63962b53cfe07c
MANIFEST theseus/Manifest 912 BLAKE2B 4cf5afc323b80b9402d49f89a209d0f14c96dd234370ef2384bd2aa7f4d5f4505d7f55b053ed95e0e3a79a68db96e13c21852ac3fed5ece5f10202c94697b6ae SHA512 f1fb69710fd8727ed4e48330b46bb4e6791ae76d7de28b26ceaf4dfa3d529f3da1fe337d29cef1c73201d572fcb0441d751b290dc6620adb96d78c9b1fa6d2c8
MANIFEST threeV/Manifest 1517 BLAKE2B fac1788f0ca9f5cad15bf60ac4aa52c6fb6dbb23d155eb7431f806ec263b59b666723004a9efec527479af91d0dec5b2de7ed6552f8f7d51b97ad7e4b9a2827c SHA512 1c03196fe9d94fe5708a9ad5fa1f10e32e86e4d87e0319dcb0495267e9266bcbb29a7d6858e9714f1bd0d2e2cac64d069188f167768a659360c99375fdcc31fd
MANIFEST tinker/Manifest 1210 BLAKE2B 74d061b8f41ca2529d28cc3bdbdb74fdc6cde0053753b41209e3049ae101c033b3009900a19b9e8b4b09834b511f13706c25721afa82cf6475bdafeba6ca394d SHA512 a440048b9de4b2e811ed6dc5a8a77f11f5369b995b943d0eb40651ed8666d685c82be631a1aa06a4e8cb618b003fdbb86c261820319c11cbcf1519dc61dec1dd
MANIFEST tm-align/Manifest 1212 BLAKE2B 203a4c110f31520bcc76c3610a03904d25b9c399068efbd9910b838b2b0eb9d2a1a49ee91e3669e0a07a99e98a0f4b7a23adeedfdfe310b541fe6a459bd01e7f SHA512 17f5bbf43397b79bdb741a90ba6f7e51cc3ff9d0198c0f35d9919de44587b543ebfca72c565255a47d50420089e9600512e5ddd52fe269eff38e77e5873d0251
MANIFEST vmd/Manifest 1870 BLAKE2B 0cfb7a531d7b9c7a5a6dca162cd1db8dd54073a5740d10e21f2afb320e4058aea4f14e84ae53b048776ed9a75eef56f0472517a437250e3efa911dc040452b05 SHA512 4cd6b09dba5bf50fd39e16ec803fe14141087aec197e16f7ec79d5a0c633c4ba60fe763777d1761e7a0021d3ad5e2b295b14eb9f299a908e60b89976ff29a941
MANIFEST wxmacmolplt/Manifest 918 BLAKE2B a10ec6d256966a9e57a34720981d119b162ba1d4ff21e52c361adb7345cce5cba66685e160566de96abc7c61b5413c4231e537ba150a2ed7d30db3793ea06cba SHA512 4eff32093a7f0892ad1452bdb397df633d6c2fd48e487122e38f250cdd8436d14fee5292d74573ee705c8d700ad076e7a108646f286e464496ab457ec2ab9b1c
MANIFEST xds-bin/Manifest 1246 BLAKE2B e4a5cd37c073e2b833c2db2d9d77a314e14d0495743588b1b0fb11f90d9cc6e08b6468e3d7b95b39299f254be164a3e0de84d961148df7760b3160163c6fadbe SHA512 da5d3e167264871102ef1eb5561c8ec528c4424bf19627a31e20b94608f9a0ff9c203a7bedac6b02ce6cbe3b2382183c396dc19f321deabf977752fa6e131f49