meeko
View on PyPI — Reverse Dependencies (4)
0.6.1 | meeko-0.6.1-py3-none-any.whl |
Wheel Details
Project: | meeko |
Version: | 0.6.1 |
Filename: | meeko-0.6.1-py3-none-any.whl |
Download: | [link] |
Size: | 280783 |
MD5: | 66f75458b653da0d9f1478b8ac62f7fa |
SHA256: | a1d3c33986cb54cab62b374fa44376ffb89277aff28ea4b2484714557f963188 |
Uploaded: | 2024-11-18 23:19:05 +0000 |
dist-info
METADATA · WHEEL · RECORD · top_level.txt · entry_points.txt
METADATA
WHEEL
Wheel-Version: | 1.0 |
Generator: | setuptools (75.5.0) |
Root-Is-Purelib: | true |
Tag: | py3-none-any |
RECORD
Path | Digest | Size |
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meeko/__init__.py | sha256=HFETf1WQBBWP6AiaYBG3w06yZzANdfK9iqd1NuxSdAQ | 2728 |
meeko/atomtyper.py | sha256=Snty6dY3cf47WWHCSFrJh-TK0vXOOl207Apv2I8oGDk | 14747 |
meeko/bondtyper.py | sha256=pTd0NPIqNh4yo6V1rwhvXb3Hp7fNo66LwpzI0uQ0xSc | 2117 |
meeko/chemtempgen.py | sha256=IPV9jqCMOxoR92oHy0hJx3PLeIMG2_VWfE8KsqURuQ0 | 34570 |
meeko/covalentbuilder.py | sha256=XWKyudKtZ10QNQKrfVSGd0gSiP64NWkBpp80jxfSEy4 | 9317 |
meeko/espalomatyper.py | sha256=qDscft8zytsaoISnXqU0L8_9y6Qt9lVjBVVyfFJl3TU | 4654 |
meeko/export_flexres.py | sha256=6kkP4VTh-pi62-yFnwT_Ue_w7AB5vjf-91Pa44nGVr8 | 11723 |
meeko/flexibility.py | sha256=aLZUbY6g2NFlvFjDX3g6XXZYhVX2qXwCK4dP_PGEx0E | 16423 |
meeko/gridbox.py | sha256=tsCqbQ1eD8msgDBlF6H7vCRsUqvQz1ABbVsTtSr6MZ0 | 6125 |
meeko/hydrate.py | sha256=RGIXF5r3vDBRbMbkOwurIPoO_72zPXgMJ0M1L6EsBv0 | 16067 |
meeko/macrocycle.py | sha256=4XfvILd7pGVl8vWGC5HMoocn7n9w2lolrJ5yhv4p10s | 12802 |
meeko/molecule_pdbqt.py | sha256=3hC6N8zgUt11D-xrmNj95fMP7inqCiLPBwX589l-cCw | 29747 |
meeko/molsetup.py | sha256=GQAKqhrXJ2ZjBt1S8EbdAQ7QrHfTIcJzdw-CpJzXEgU | 85652 |
meeko/openff_xml_parser.py | sha256=TBDUdsK980hAttroJhYdyxW02mMhU0zalAUfkbQQDco | 10403 |
meeko/polymer.py | sha256=Umd_e890bpk2mqCD2G62-bEKFjvYRJlaYv60Q-35gjg | 113685 |
meeko/preparation.py | sha256=u1XUwHc2ONd3Vt92jAIInFovLDqzny3OrODOFW5Xkvk | 22081 |
meeko/rdkit_mol_create.py | sha256=I430OZH-EG_QgqWZ2x5V__IBz1BOgESc-xISku8tBUo | 21222 |
meeko/reactive.py | sha256=GvBECILExSb2AhEqt6fk--BDeNDNCKsOxrpmj56MszM | 9344 |
meeko/receptor_pdbqt.py | sha256=FXCZynFeRWqLdcIu-BXCckcrrKU1i4U8hc4ezyEApYA | 10191 |
meeko/writer.py | sha256=IO6FEBiJ_WmQSvoQCX8RckBdxPG5x2eu1jyCARa6gSQ | 29366 |
meeko/analysis/__init__.py | sha256=L7LOA6QBHpq7igWNOqYRs_ibF1D2NFTVRxELF3OaZeU | 413 |
meeko/analysis/fingerprint_interactions.py | sha256=XYnfodUF3P1jRrjJ20luIBuYkFPEhV1oGVPI3gTLwDE | 4870 |
meeko/analysis/interactions.py | sha256=n7sV47FaLPhlYkhrLNTUPzRdS7fCYHVmBHUgJQhXYTY | 11912 |
meeko/cli/__init__.py | sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU | 0 |
meeko/cli/mk_export.py | sha256=Y5MxLJubIbo41fbwgsgFLyiS0IH-tKEGQb7tLJTTFU0 | 6615 |
meeko/cli/mk_prepare_ligand.py | sha256=VSKJceE2kUMuQif3UsHMGzcpyOMThwfB1Up4jENoOIE | 22976 |
meeko/cli/mk_prepare_receptor.py | sha256=8_7rlwst3tdZBRe1duGE53ZOow1in56z3vAr-CPL3_E | 36505 |
meeko/data/NAKB_templates.json | sha256=ZU6cz9qS3ORCuiwUctVhbVAfF10qBy-gudVfBxt1pDc | 923416 |
meeko/data/residue_chem_templates.json | sha256=O6leO9l3Z2etY3yY0oaTsdYV9gJHYDENRw5ousH-ZsU | 331590 |
meeko/data/params/ad4_desolv_param.json | sha256=DbMdV_GmQ-lWwtAtlDIXDxyzHaz6FDnim6DBiH87mZU | 534 |
meeko/data/params/ad4_desolv_volume.json | sha256=k9-VrL9hcLKwHrEtxum-NnawvdrhSaOFKLuBQyNpEdY | 1017 |
meeko/data/params/ad4_hb.json | sha256=LA5j1Y9oSljnfzDRm_K-n_Fgx3tzqHFdBY9TXmI3k6Q | 340 |
meeko/data/params/ad4_types.json | sha256=1-iQ7JXPHamz88ktAcoES5R4vYs21s760GjDpUAlfUM | 1434 |
meeko/data/params/ad4_vdw.json | sha256=676A3T1uMtRNpFuk95rKFVNrTqDN7WtNiaKqmc-HcXk | 970 |
meeko/data/params/example_offatom_charge.json | sha256=RbC-b88QHa-s4NcTaX8mbRwxU18Xl-yG6Ft4GeaF1G4 | 258 |
meeko/data/params/vina_params.json | sha256=1BTAhDduCHDYFtxBSjCSaCbVH1Y-HQUaO9iZZ2WhU0g | 2352 |
meeko/tmp/compute_water_map.py | sha256=skhNa0wbd38ptv1th0fCu-6y_BSfG8o0zz_B1RWTcGc | 5959 |
meeko/tmp/water_builder.py | sha256=D41LzNlKb91dPxLXPhrPFmMO4S0LY4gHAoP6YskWyO0 | 33805 |
meeko/tmp/water_map_builder.py | sha256=uFOzXVqvsD7aA9cbZFcnZbOdgt9H8pGoX23xvhHCSI0 | 10399 |
meeko/utils/__init__.py | sha256=y4QmKlqf-3_kb2VHOFt3Ij6Q1wyX4yxPZvMMHrA_GGY | 66 |
meeko/utils/autodock4_atom_types_elements.py | sha256=cdl-hTDY8-ZbVSL-nAmQd7qCXtS7qoR6-B9f59uqVuE | 775 |
meeko/utils/covalent_radius_table.py | sha256=4_ph7j1SlA4eF1qYgjYV18aBNYTKE1bpqAh0C9ZjjgM | 2187 |
meeko/utils/geomutils.py | sha256=fZU0yqBECCr5qEcr2nKPrjqTNpvpi9AU_ptLaeUqSsM | 14425 |
meeko/utils/jsonutils.py | sha256=5ljjmoDUoYyMTDQXBghhjs5tIK4n4X08qfvo_3pLZdw | 2153 |
meeko/utils/pdbutils.py | sha256=3WxvQqw4EnOB2PH-rwVm_2w9Q8hPdy8YOLGBa85Iejg | 250 |
meeko/utils/prodyutils.py | sha256=cOgJXZlcxGKZEsWO4gtbk3hc6bgimAoXtXYcCjVyYF4 | 10416 |
meeko/utils/rdkitutils.py | sha256=gz9ch9VJC_NA664W_etNwjOr--sMGPmd-hQKQzZC__c | 9195 |
meeko/utils/utils.py | sha256=Lvjo6aWJUD5J-ZOIbDITb_abz_BEbIu9xCXhsfjGVdk | 14927 |
meeko/utils/van_der_waals_radius_table.py | sha256=EAE-QlIYTgkhzefKsi0yRf2k8sHyvf5qaQGRPX2MaQ0 | 2194 |
meeko-0.6.1.dist-info/LICENSE | sha256=IMF9i4xIpgCADf0U-V1cuf9HBmqWQd3qtI3FSuyW4zE | 26526 |
meeko-0.6.1.dist-info/METADATA | sha256=PSTyy0Y1MSRcrFmvUCp2b6gdAZ0LL0HcTVICx4dUsKk | 3428 |
meeko-0.6.1.dist-info/WHEEL | sha256=R06PA3UVYHThwHvxuRWMqaGcr-PuniXahwjmQRFMEkY | 91 |
meeko-0.6.1.dist-info/entry_points.txt | sha256=8SwXZqWvFW9XG7dd3dOtGwaR1oHakExx9DMyjHbsJJE | 174 |
meeko-0.6.1.dist-info/top_level.txt | sha256=k1YRHa-4a3SPms2JQcXbKOL65WOpUD_Fml5cUz0kv6U | 6 |
meeko-0.6.1.dist-info/RECORD | — | — |
top_level.txt
meeko
entry_points.txt
mk_export.py = meeko.cli.mk_export:main
mk_prepare_ligand.py = meeko.cli.mk_prepare_ligand:main
mk_prepare_receptor.py = meeko.cli.mk_prepare_receptor:main