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CAT 0.5#42

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BvB93 merged 70 commits intomasternlesc-nano/CAT:masterfrom CAT_0.5nlesc-nano/CAT:CAT_0.5Copy head branch name to clipboardJul 12, 2019

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Commits

Commits on Jun 27, 2019

• WiP: CAT 0.5.0

  

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Commits on Jun 28, 2019

• WiP

  

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Commits on Jul 1, 2019

• WiP: CAT 0.5

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• Update

  

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• Update ligand_solvation.py

  

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• Update ligand_solvation.py

  

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• Moved the analyses modules to nano-CAT

  

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• Update mol_import.py

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• Update

  

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Commits on Jul 2, 2019

• Merge branch 'CAT_0.5' of https://github.com/BvB93/CAT into CAT_0.5

  

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• Update ligand_opt.py

  

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• Update base.py

  

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Commits on Jul 3, 2019

• WiP: CAT 0.5

  

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• Bug fixes

  

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Commits on Jul 5, 2019

• Update ligand_attach.py

  

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• Changed import names of Data-CAT and Nano-CAT

  

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Commits on Jul 8, 2019

• Module-level docstring updates

  

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• WiP: Introduction of more tests

  

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• Update test_frozen_settings.py

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• Update assertion_functions.py

  

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Commits on Jul 9, 2019

• Update ligand_opt.py

  

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• Bug fixes and improved mongodb interaction

  

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• Update input_sanitizer.py

  

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• Update input_settings.yaml

  

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• Fixed import path

  

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• Update

  

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• WiP: Overhaul of the input parser

  

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• Update input_sanitizer_v2.py

  

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• Update CHANGELOG.rst

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Commits on Jul 10, 2019

• WiP: Input sanitizer overhaul

  

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• Merge branch 'CAT_0.5' of https://github.com/BvB93/CAT into CAT_0.5

  

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• WiP: input validation overhaul

  

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• Update

  

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• WiP: more tests

  

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Commits on Jul 11, 2019

• WiP: tests

  

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• WiP: Updated tests

  

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Commits on Jul 12, 2019

• Update

  

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• Update

  

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• Merge branch 'master' into CAT_0.5

  

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• Merge branch 'master' into CAT_0.5

  

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• Update setup.py

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• Bug fixes

  

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• Fixed tests

  

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• Fixed documentation

  

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• Update conf.py

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• Update conf.py

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• Reverted back to sphinx 1.8

  

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• Added a readthedocs configuration file

  

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• Moved a couple of files

  

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• Removed mocking

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• Update CHANGELOG.rst

  

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• Update conf.py

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• Merge branch 'master' into CAT_0.5

  

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• Changed sphinx version to >=2.0; set html4_writer to True

  

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• Update requirements.txt

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