molli_xt.cpython-310-x86_64-linux-gnu.so,sha256=p2m-Iu650aYRQDidOR_dZocmd6rhdjdNn37hougIaz4,219905
molli_test/test_external_xtb.py,sha256=iHmRfZm5nH3EFMzQQYbUn-ql1UzhBcvKG2kN8ziBLPs,4723
molli_test/test_chem_connectivity.py,sha256=ZoM5nvmy4gfyIZh9Vq8hTWYZ9FMeZlnZzmq5EPDs7aI,5863
molli_test/test_chem_molecule.py,sha256=spN_bj3qqy0hHuLpse_HX9xIUEncH0ePTvzTSp5F_rc,5611
molli_test/test_external_openbabel.py,sha256=A3xr3CY-qQeusm6Db0pEvNo36kwXBapJi5nKS-TCdWk,2145
molli_test/test_install.py,sha256=ckST77GV5IWZoQYvbqvNcXq5oRWbx6VoK1Wju3HRcAM,1097
molli_test/test_chem_structure.py,sha256=mmQsNNcN7XwYOavZMxtbDtUWvnwSSqJ55wZm1iAjxQw,4292
molli_test/test_external_rdkit.py,sha256=WmhJ-0b5ATYPEks5lrVYIXMPvBX1WzkvIbDnBmi3-MQ,4446
molli_test/__init__.py,sha256=23KzsB3Dgdu_Jj1Hn84LmOEDzd15q8qUA4pdchze8vo,1398
molli_test/test_chem_promolecule.py,sha256=AQK1HDaUKciki5Yye3Yov6hUKIUlAxu67FlioJKFyvc,12581
molli_test/test_descriptor.py,sha256=8-fFHfhdTqUqk_Ub5PwIRjqeVrkR_lFJpgvWss4ga5w,1536
molli_test/test_chem_geometry.py,sha256=ebMIDhBmhTPtOeeCMo4eTzNYHlwEpem9H78J5Lrjb1Y,3178
molli_test/test_collections.py,sha256=gHQnI2QVT1wLAOhNAK47dLYgHjpV-D5Xcq_4HxdW9tg,9599
molli_test/test_molli_extensions.py,sha256=CXD-5NhpSlHkFXNcro2pKlUAWMjr03HCjZb8ExZvfRY,1311
molli_test/test_conformer_ensemble.py,sha256=NS2j-D6V-S4_KH77CRIQlhHKEHqd6l7sLWG5RhVTisI,9417
molli.libs/libgcc_s-a04fdf82.so.1,sha256=YxqJNaesQMhDswHEQpXsiLnVvMBBbYO6KYMDZFPWKSM,81257
molli.libs/libstdc++-a9383cce.so.6.0.28,sha256=Wy9UCdwS1rwI9GU5e7qE61S0AkRqqwti1q_adWSs-Rk,2447393
molli-0.99.1.dist-info/METADATA,sha256=blC9XvRuCg-rQjFLlb6xmdzZj1eyo3ilPZuOmV-FW-E,4274
molli-0.99.1.dist-info/LICENSE,sha256=GSdjt352mJ05gMr2OxOkl522W45vsd9b-hqOtCKFnnc,1113
molli-0.99.1.dist-info/top_level.txt,sha256=teEIZIcPYBbtSy4M49HAMERnabBVOpHiUl20EKOdleY,26
molli-0.99.1.dist-info/RECORD,,
molli-0.99.1.dist-info/WHEEL,sha256=teAgl2hmEj-c3zIIL7kvmnJNpl7hVIar7x-kUOWAdXc,113
molli-0.99.1.dist-info/entry_points.txt,sha256=lVfXlac_LC97Q-lIUptZ_JB76njuxe5zScf6zZRuwTo,142
molli/config.py,sha256=zHXQ2Xoz40W2DWOu6Vf6YfIMVSbrOXDjVTePA83ft0A,3826
molli/__init__.py,sha256=y3LJFuMna9OdPDwtIvPi-EyDTd51iAkq4aoJdt56_Is,2516
molli/__main__.py,sha256=xaVRCJ1SHkIGn-9JA7I8rVg63TidX9OGiWZsMeeJe3g,6200
molli/chem/legacy.py,sha256=WYoODzzI5CajLNXI9GDcWdzSIYk-RyMWV4Mp0n-93_w,3562
molli/chem/geometry.py,sha256=JF17baPwJp4-2DVThMGTPCXJ9egCYd2mGue1nQY8Dt8,31365
molli/chem/structure.py,sha256=eMwjXIQn1h04MnWLVvcOIEKHdeqvbnw-vbscWnZTCXU,36164
molli/chem/library.py,sha256=i_quSiN4_-alBwvHRzUJ80GCMRnKIj9Vmhd1WBkHbBE,7947
molli/chem/molecule.py,sha256=wMWyVwqHIzSdq_uLaMxaTa6Qbxhh3w4Uu2WMn-NgSsU,9852
molli/chem/bond.py,sha256=cqfSvHTagutsTcSySLh5Sxisy-W6wdl89yoEDDEaANM,42422
molli/chem/atom.py,sha256=47hASMLLYxDGyroRsHWOFJ1j0kO6pQXeV80afmkSvik,48863
molli/chem/__init__.py,sha256=KZIeXXnM-7BMeX2M6LTzJ5jFjVZpLoaSY5ogzL33DfE,1462
molli/chem/io.py,sha256=pnmFtBVbgwD8b8JdnR0DwEmQVK9buNsFafqHHSTPcwg,10002
molli/chem/ensemble.py,sha256=jDN1O6_ek112RX5ezMaw7BI5EsFDygguWXPFRQA3Zy0,27814
molli/files/BOX_bridging_fragments.cdxml,sha256=o54fumuJisc1Jty_nHIBL3Lxx3iIQenn2aCVPB71H9k,8097
molli/files/dmf.mol2,sha256=rs7n2gZVZ6FTKjldeK9Q-PpjW-pMgTEiJanAXyChukM,1268
molli/files/oldstyle.xml,sha256=RdMw67q0d5hZEbifWugHJyKH8gPqsV7HhEXTiY8Dhi8,147731
molli/files/parser_demo2.cdxml,sha256=Gba7b38cCDunHXRjKlOuMwY56JpPQd-eHt96nvb2xBE,195127
molli/files/dimethyl_sulfone.mol2,sha256=tZMFA3Rhbqr2pJOf_LnTa4Nkcc48cpzIspOCmc2AOPk,1180
molli/files/BOX_4position_fragments.cdxml,sha256=IwS-Kaq9wIIq8DbeOS7gcm15rGrib31BRfsc5oq6cjU,162034
molli/files/box_ligands.mlib,sha256=CZcj3yYAu6ViRWdautUgfdNErEzKGwDM-g8nOHzsDv0,224144
molli/files/parser_demo.cdxml,sha256=9fPoF2j9asoxjRwObiZE97__PY1xyK_IzOtJYrgb4rM,66534
molli/files/fxyl.mol2,sha256=7U9b84BnRfCnqmXOsGwZxtE2NrqXvIr1yuuTKvnOw4A,1901
molli/files/substituents.cdxml,sha256=0nGCKZ8-S5GTA7IdboNy3AVwdV62lGLJYvjrPkcstuA,27283
molli/files/dummy.mol2,sha256=D_02RzRFvsk3ti0pe5QBIgK58zh_tHUfeh3qnbc6tjg,220
molli/files/cinchonidine.mlib,sha256=sGk99CzT68IKyATwitTDn_R7lsjrd73le_o26Ck1k78,263085
molli/files/pdb_4a05.mol2,sha256=R4OAuBbaWyvL188SWQzgy0o3iv9BUWUxTYqaRVJH6gk,319318
molli/files/nanotube.mol2,sha256=0bLeYl0CHSPlEHZcq6WcvGszbcYn6ecmyV2rpoLtCFc,83584
molli/files/__init__.py,sha256=VfMaHdyjbpK4AVXsrpR8Yn2EibQEj4gsvPvQWFdsV4U,2444
molli/files/box_alignment_core.mol2,sha256=-WYh7cl0AuUQhL-s5du89UFmWlevTCG-CDu13Nshr0E,2072
molli/files/test_mol2s.zip,sha256=gXMo4sw3r64osS4eoAibIKXSHQiHwmBCYdf5MHw03eI,2928
molli/files/cinchonidine_query.mol2,sha256=XvLNNROYnwp5RSntzHGZKPbmx99fFYWtcP6viUfBCJ4,2278
molli/files/cinchonidine_rdconfs.clib,sha256=Bu0PperJdOTiUk5tKuHqPGYKOQT2Z2MemV5hhc7qGUg,21058106
molli/files/zincdb_fda.mol2,sha256=upupvwAsq2x4fNyuXNMIwOorqbWWkbGzrWyko7QR3gU,10057467
molli/files/dummy.xyz,sha256=wzjAbMga9aUBZ1Mc1Qwa_SlxvnsuRCJ5TbLWeSjcvCY,116
molli/files/test_mol2s_ml02.zip,sha256=QH8G5rL_gjqyfAM3CfWe8yAwRUe4Qfv7mOf4B0TgSiY,8343
molli/files/dendrobine.mol2,sha256=RJHPp0IrQnsPBlZ5vNdm92ipPKzo1S1cHv2BIRN_2Yo,4603
molli/files/pentane_confs.mol2,sha256=9rTIGiVukVRX2wlPwq9siT2HTu3eexS72Tl1o2qNZqs,12534
molli/files/hadd_test.mol2,sha256=M4TlSqr2my8BzNpN3CVkMWr6VAMCc9K8QKdo4sWk8Fk,1722
molli/files/bpa_core.mol2,sha256=lJry30nup99wuGnWYFkwt68DxVV_jNnwNx3_TTMRnIU,2715
molli/files/dendrobine.xyz,sha256=SOBVxKBljaOmaP4JkmQJyvrK5CG-mGNPkSpWcfaYW30,2170
molli/files/cinchonidine_mcs.mol2,sha256=dQBt0fmtYrKzyeCkNypaUjLTApsN11px57CFJKjs5xc,4800
molli/files/tiny_test_bpa_raw_conf.mlib,sha256=TH2vYViawQuDDtJn9uecGiP_c_Fg4rR9LZoRcbilzOw,22139
molli/files/benzene.mol2,sha256=rCJHHQeEnq80mQeu50frBZur9eefHKoW6WYHpRtxsl8,1296
molli/files/fletcher_phosphoramidite_cats.mlib,sha256=7zOJy6OwOn6gNkYYHFUFRaaRQXzCqGL78ZsU46K13c4,152649
molli/files/propyne.mol2,sha256=e7Rw23Zo8XH1VKtNOLTRwvT1Dv-lrUNP2JGAg62Hzt4,765
molli/files/pentane_confs.xyz,sha256=yJuWF0PZGnacWhYmjI6Kl8vGSlypTTCOG-kaUZxrais,5950
molli/files/BOX_cores.cdxml,sha256=tv1BncMq7TRMDav43KLc47U2WZXceJJUvCE9m8ArJdY,59360
molli/pipeline/job.py,sha256=NHMGXYKLqLUtp5IwkQmtX-jaUN059foi4g9eyFSyOng,27698
molli/pipeline/driver.py,sha256=4fylDY0V9X5NVDySdYScJPTTcM8AnVh0yGWKDLTQXUc,1604
molli/pipeline/__init__.py,sha256=q9F5TfF-Jd1R75FTBiHHUHv8oaHb7zE530KqAlxI_jU,62
molli/pipeline/runner.py,sha256=Yxlaz-vDOIfTxUHw_ZvZOzVYGoitcT6feFvmz-yYqSM,4478
molli/pipeline/crest.py,sha256=llW3E9qWpinkd5y6FFX00aZR1ymu9n37ch690kl24MY,1865
molli/pipeline/orca.py,sha256=wVpyIUmmcYfxdASnFGq4F7sWXeM2wKQptSK5WmG0kSo,8886
molli/pipeline/nwchem.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
molli/pipeline/xtb.py,sha256=tQg6pBmjLvCu64DbDsEd_6YEo4PXOw-uf4fKFTnzGNY,5171
molli/data/element.en_pauling.yml,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
molli/data/element.color_cpk.yml,sha256=D8yCfXplTH3hx6FeWzwGXRnb-to2bwPB_L7BBc2Xm_c,1654
molli/data/element.covalent_radius_1.yml,sha256=7R790LmEPkK0VeQt9_Hift1R1xeHMLQuSSftbbYSKac,1385
molli/data/element.covalent_radius_3.yml,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
molli/data/element.covalent_radius_grimme.yml,sha256=__gWRJNT4ixPOUikGvpxZoxtcFpZp9Crv_qte82aMvQ,1478
molli/data/element.atomic_weight.yml,sha256=WszPsEWKNPKUZtA8d5wSukevyroaVwsBhtB0rVPYDiI,1608
molli/data/element.covalent_radius_2.yml,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
molli/data/__init__.py,sha256=E2_JAtR7lW1wVjIL7egZ5MK-GHXe9a5sazzkiOG9vBs,2923
molli/data/element.vdw_radius.yml,sha256=EPJAMFGV0xvQ_KdRNTi9SFov0WnrErO2rhKmi6PlcEI,1567
molli/data/element.electron_affinity.yml,sha256=HomPz64P9GSTzsiVJ4GSzbwL8wfhovZCvjHjq8s9WHM,1536
molli/data/element.c6_grimme.yml,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
molli/data/isotope.exact_mass.yml,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
molli/data/element.group.yml,sha256=-ezi5lbaQTQIOkdeXz0AUHvYHBnKs8WqtF8omVAP_C0,1008
molli/math/distance.py,sha256=k0E4OVLDkNzOErHZSH2dhdxyyIFiUQWI6bgno9Kn9KQ,1726
molli/math/rotation.py,sha256=f65VuZpX_htMi07gbr8d62w3wsU79tafW38hrtRdaL8,3471
molli/math/__init__.py,sha256=apMnVU95dG6uo55uqXT7yPl_WdmEmkGB0YgiktA_vKU,1004
molli/math/plane.py,sha256=tXWDTSRbDX-CVnaN8Lkjvg6S2Gqo0II5tQz90r8Ro4w,878
molli/math/polyhedra.py,sha256=MklSNYdrUc3pr2mjC-gz3hMhLqRaaCfGPTXLxz-sBZI,1229
molli/scripts/recollect.py,sha256=LF4D8q4WxoB9zT2taZZ2VrLVXt1OypTUD_VIgx_2BZw,6576
molli/scripts/show.py,sha256=bWIDvROUWc1m2LrjTT5UyPxJ2tfl2NLmgPi-crDNF7g,1646
molli/scripts/compile.py,sha256=0GPusXH-nCwSp2vWoVZpG6tr7jwAsn0GweZxnFPBess,2636
molli/scripts/grid.py,sha256=HzIpykntfDqnLLmC7Lp7TgfhSGyDJhNKZyC0_8d7I2U,8583
molli/scripts/__init__.py,sha256=ucpQ-7A9jhdtNGdqxAoJP4gaBYX4AdFlT8XrFgL6wYg,1011
molli/scripts/run.py,sha256=1HlSPEMN4hfeGEpZuLR7n72jknHeEUarOTa0tw_S2nE,1550
molli/scripts/info.py,sha256=PYQkA0w0xq0PGZ4ObX-5ZYsN_cL8cK85-Ym_tMDqWBs,1235
molli/scripts/test.py,sha256=pOvS1_r_dx0FA4hc-jxUR0wsDP98JnxCkXTqNQsLaUk,1302
molli/scripts/parse.py,sha256=wFadi8TqdXmoxWTz6AsjfjDY22ogYko91KB1n80trKg,3069
molli/scripts/gbca.py,sha256=yWSHOLUZ662vpO0bppVTiZXwNxNI7K8CajWTfxXvwe4,10591
molli/scripts/combine.py,sha256=EsWFto_SWCoC8uTRWQVuSIKUSTyEes20zv-pZ8sjEtU,9566
molli/scripts/inspect.py,sha256=Fc0P1_qfUioAdfGXeY-uz1Uc-dITjVyGYOyH36yNLIY,4007
molli/scripts/align.py,sha256=F9aitdYiD77wPhvOsrY2gaSxkiGBVzXL8_4SyDcSOP0,6051
molli/external/openbabel.py,sha256=QY3r11Mk1bagva_9z44n0rArlr9xboHe41MtJH99Tfc,7561
molli/external/_rdkit.py,sha256=bMGffod_Z2zVw-8r7eXiKv6IJMiknsYlN_lcmViUNVo,27031
molli/external/__init__.py,sha256=rCtJd76RWM7sXU2AwdG29IxsS5bIkltuhgw2Gg8hORY,226
molli/parsing/_reader.py,sha256=Zc5tgcC9cNPb3nuqTN-cz92wR3jvp9YbySl0xaNEjpI,1937
molli/parsing/xtbout.py,sha256=Kv9GaEu4sGOT7uuAFza2juvB1_9HFc_AslszjPLlJEg,6799
molli/parsing/xyz.py,sha256=CbUGYxeJyp_MxhF1rST7ut9iEE8s-SNDFw7cp4BY9ko,2568
molli/parsing/__init__.py,sha256=9n8ohwbv12yzJbQQJKmT1RbOQWVG9NBbUgP0iNSV8-Y,226
molli/parsing/mol2.py,sha256=9HlHpIY6v1rfBM9szfyHe-WBiIuIE--VRoRdgV1qJgY,9181
molli/visual/_py3dmol.py,sha256=-IUTJt9RVc4-6PXTenZvxEfb-fASQKzV2er7Ve_D__M,3955
molli/visual/_pyvista.py,sha256=i20vsuigFh2wTIJ0u5RlmrHn1TQHzLx7njJSG5NEOvs,4337
molli/visual/__init__.py,sha256=0wDRMJF999mhn8qmeekR0B-sHLNx9czAlrgq7_Z1u1Y,2000
molli/visual/primitives.py,sha256=0ubD2YutGxQqnOWKWm50MxpwGf5PpBBgvj7DchG8nvk,2803
molli/ftypes/__init__.py,sha256=ddokJyMcIDrkC5jMfVljAFI1x-XVN5tMnaRDGq-3NqU,853
molli/ftypes/cdxml.py,sha256=A3Oy_uNIFtBlRaauxAvsj6C4HuL7V5WxKgULzGSre9I,13004
molli/descriptor/gridbased.py,sha256=HU5MZ0D1QblcT1H1kqa8Uk8LiBjcYf6CLBMRb2RzCOM,7209
molli/descriptor/aso.py,sha256=O2EVTEQHnWfHjjWV3BQP7Ofic4-00EXB0GceipI1A6A,2932
molli/descriptor/__init__.py,sha256=_V1zqwkg1xY0YNbKT_iA2EJHtNPD-wBv24hPsrG4B24,958
molli/descriptor/cov_cn.py,sha256=oUdr2zHbi5-pqPEk9OWjY1S5iecTvBhqnhjVCh7Q2pg,2729
molli/_aux/db.py,sha256=Gp_hF4vvI0Y0VDluQYffGMydshVz9MDLpjUM5tYnGg8,1148
molli/_aux/version.py,sha256=6tRcZoCzMSzBlMVnrXZ4jpMBgxW6F3gKxBXPrAUrs5M,2054
molli/_aux/__init__.py,sha256=DWTqR5tu5TnNcgXwn_L6ThK86eouneB6D5ZgQBbZR0U,1127
molli/_aux/iterators.py,sha256=HUhmCU5gqezNVdt37Wz-komUw2Lh6T4yJrUlfBKAz-k,3695
molli/_aux/lock.py,sha256=Z9cWDsj6u2ku2mwrndKXNBivDXyaGFP7xMRevxF_KH4,539
molli/_aux/misc.py,sha256=DYCfryNw5NNvjfTWMqZAoF8MiYHvQFw-0xdmqIOZgTU,4106
molli/storage/__init__.py,sha256=gK4j9CScL3ZZmjURSruC7P0Ypwl-zsF08okPgAI4cHM,193
molli/storage/backends.py,sha256=e2SY5m4v8QXJsQ8Py511rst5vmMJ6ugjN7Ags0tYcCI,10729
molli/storage/collection.py,sha256=s0ckrz0uQ3KUfZEa2O7wkSWuN5H0kz1C-RdwSRL2Peo,2960
molli/storage/bmffile.py,sha256=Bssb30chMuC0YezhYPzu-h5XXhQImMQyfrhzynsOyKU,10415
molli/storage/ukvfile.py,sha256=sWGIooZkPQ00rhe_wtzl_NA4EDyBp6V9vhG6261Aolo,12880
