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\n\n
\n# Description\npyGOMoDo is a Python library for homology modeling and docking specifically designed for human GPCRs. pyGOMoDo is a Python wrap-up of the updated functionalities of the GOMoDo web service (https://gomodo.grs.kfa-juelich.de). It was developed considering its usage through Jupyter Notebook, where users can create their protocols for modeling and docking GPCRs.\n\n

\n\n# Quickstart\nWe recommend to use pyGOMoDo with Docker ([here](https://hub.docker.com/r/rpribeiro/pygomodo)). The container deploys the pyGOMoDo Jupyter environment.\n\n\n### Running pyGOMoDo docker container (reading and writing local directories)\n\n```bash\ndocker run -d -t -p 8886:8885 -v $PWD:$PWD:Z --name pygomodo_production rpribeiro/pygomodo\n```\nThen open the the following link on the browser:\n```\nlocalhost:8886\n```\n
\n\n### How to install Docker\n\nInstructions to install Docker [here](https://github.com/rribeiro-sci/pygomodo/wiki/How-to-install-Docker).\n\n\n### Running pyGOMoDo locally\n\nThe instructions to install pyGOMoDO [here](https://github.com/rribeiro-sci/pygomodo/wiki/How-to-install-Docker).\n\n
\n\n\n## Documentation\nDocumentation can be found online on [ReadTheDocs](https://pygomodo.readthedocs.io). \n\n
\n\n# Developed on behalf of\n

\n\n\n

\n\n# Funded by\nEU Human Brain Project (SGA1 and SGA2): This open-source software was developed in part in the Human Brain Project funded by the European Union's Horizon 2020 Framework Programme for Research and Innovation under Specific Grant Agreements No 720270 and No. 78907 (Human Brain Project SGA1 and SGA2).\n

\n\n

\n\n\n# Cite Us\nPlease cite us if you use or adapt the pyGOMoDo for your research project,e us.\n\n```\n@article{10.1093/bioinformatics/btad294,\n author = {Ribeiro, Rui P and Giorgetti, A},\n title = \"{pyGOMoDo: GPCRs modeling and docking with python}\",\n journal = {Bioinformatics},\n year = {2023},\n doi = {10.1093/bioinformatics/btad294},\n url = {https://doi.org/10.1093/bioinformatics/btad294},\n}\n```\n","has_starred","hub_user","immutable_tags_settings",{"_76":11,"_77":78},"enabled","rules",[79],".*","is_automated","permissions",{"_83":21,"_84":11,"_85":11},"read","write","admin","user","storage_size",5073870189,"orgData","recentTags",[92],{"_93":44,"_94":95,"_96":97,"_98":99,"_100":101,"_102":103,"_50":119,"_120":95,"_121":33,"_122":56,"_57":123,"_124":125,"_126":110,"_127":119,"_128":66,"_129":21},"content_type","creator",16546514,"digest","sha256:dc70a8dfab6d9b34ce804ef6fd313c898cebbe9912068f4dbdc88b0cce00252d","full_size",1492294694,"id",330261598,"images",[104],{"_105":106,"_96":97,"_107":108,"_109":110,"_111":112,"_113":114,"_115":108,"_116":-5,"_117":99,"_63":66,"_118":-5},"architecture","amd64","features","","last_pulled","2026-10-08T08:49:03.719211688Z","last_pushed","2024-02-09T14:24:03Z","os","linux","os_features","os_version","size","variant","2024-02-09T14:24:02.531643Z","last_updater","last_updater_username","media_type","latest","repository",18538684,"tag_last_pulled","tag_last_pushed","tag_status","v2","sbxKitMetadata","isPotentialSpam","isHubSbxKitsEnabled","showSbxLogoOverride","sbxTrademarkText","displaySecurityMetadata","tagAttestations","tagsHaveAttestations",[],"selectedTag","attestationsUrl","routes/_layout.r.$namespace.$reponame.tags",{"_38":143,"_150":151,"_137":160,"_161":11},{"_40":144,"_42":145,"_45":46,"_47":48,"_49":11,"_50":51,"_52":53,"_54":146,"_57":35,"_32":33,"_58":59,"_60":44,"_61":62,"_63":64,"_65":66,"_67":-5,"_68":69,"_70":71,"_72":11,"_73":33,"_74":147,"_80":11,"_81":149,"_86":33,"_87":88},[],[44],[56],{"_76":11,"_77":148},[79],{"_83":21,"_84":11,"_85":11},"tags",{"_152":64,"_153":-5,"_154":-5,"_155":156},"count","next","previous","results",[157],{"_93":44,"_94":95,"_96":97,"_98":99,"_100":101,"_102":158,"_50":119,"_120":95,"_121":33,"_122":56,"_57":123,"_124":125,"_126":110,"_127":119,"_128":66,"_129":21},[159],{"_105":106,"_96":97,"_107":108,"_109":110,"_111":112,"_113":114,"_115":108,"_116":-5,"_117":99,"_63":66,"_118":-5},[],"canDeleteTags","actionData","errors"]

rpribeiro/pygomodo

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