Substructure searching: Difference between revisions
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(Created page with "Written by Jiankun Lyu, 2017/09/13 The hierarchy of the directories: thin_spheres_parameter_scanning----- working ...") |
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Revision as of 17:39, 13 September 2017
Written by Jiankun Lyu, 2017/09/13
The hierarchy of the directories:
thin_spheres_parameter_scanning----- working
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|------ ZINC-downloader-2D-smi.database_index
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| |------ sub_pattern.smarts
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------- script ------ submit.csh
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|------ submit_sub_search.csh
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|------ run_sub_search.csh
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|------ search_multi_substructures.py
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|------ setup_substructure_searching_files.py