Code

Tleap InterMol support#146

Code

Merged

jeff231li merged 13 commits intomasterGilsonLabUCSD/pAPRika:masterfrom tleap_intermol_supportGilsonLabUCSD/pAPRika:tleap_intermol_supportCopy head branch name to clipboardOct 24, 2020

+468-28

Commits

Commits on Oct 16, 2020

• integrate InterMol to tleap class for conversion

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  56194a9

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• add utility function

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  cd7d2d5

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• fix docstring

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  d1c94bd

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• fix docstring

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  abb9dcc

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• update

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  4a5ad58

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• add test_unit for utility function

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  954d74a

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• update test unit

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• lint

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  fb2e5c1

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Commits on Oct 19, 2020

• Merge branch 'master' into intermol_support

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  ecc5b5f

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Commits on Oct 20, 2020

• update tleap

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  1c53df6

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• change default toolkit

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Commits on Oct 24, 2020

• move toolkit enum class

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  36e4568

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• fix tests

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  dc094be

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