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Bugfixes, a few extra features#46

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clami66 merged 15 commits intomasterbjornwallner/DockQ:masterfrom revisionbjornwallner/DockQ:revisionCopy head branch name to clipboardAug 12, 2024

+252-165

Commits

Commits on Aug 8, 2024

• fix broken install with numpy 2

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  1dc4afe

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• more informative error message

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  270dbba

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• uniforming units

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  ab3a344

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• more informative error messages, switch to logging library

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  c773326

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• handle case with no interfaces

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  3a5fe75

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• merge

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  01982d0

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• change version

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  f8328ec

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Commits on Aug 9, 2024

• 3.8 also works

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  067d120

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• specify python version

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  2d6cc18

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Commits on Aug 12, 2024

• small fixes in outputs, remove DockQ_F1

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  90578a9

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• added json output flag

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  3ed4c73

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• added definitions, fixed sample outputs

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  c6d9e01

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• fix title

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  2bbbbb1

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• bump version

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  13e9c52

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• 3.8 as lowest version

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  5ace0eb

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