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Folder: MolStandardize
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.. (parent) | |||
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d | rwxr-xr-x | 4,096 | AcidBaseCatalog |
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d | rwxr-xr-x | 4,096 | FragmentCatalog |
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d | rwxr-xr-x | 4,096 | TautomerCatalog |
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d | rwxr-xr-x | 4,096 | TransformCatalog |
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d | rwxr-xr-x | 4,096 | Wrap |
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- | rw-r--r-- | 2,940 | CMakeLists.txt |
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- | rw-r--r-- | 12,328 | Charge.cpp |
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- | rw-r--r-- | 3,344 | Charge.h |
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- | rw-r--r-- | 5,290 | Fragment.cpp |
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- | rw-r--r-- | 2,348 | Fragment.h |
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- | rw-r--r-- | 3,178 | Metal.cpp |
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- | rw-r--r-- | 1,687 | Metal.h |
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- | rw-r--r-- | 4,557 | MolStandardize.cpp |
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- | rw-r--r-- | 4,826 | MolStandardize.h |
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- | rw-r--r-- | 5,161 | Normalize.cpp |
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- | rw-r--r-- | 3,062 | Normalize.h |
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- | rw-r--r-- | 11,096 | Tautomer.cpp |
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- | rw-r--r-- | 2,231 | Tautomer.h |
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- | rw-r--r-- | 8,914 | Validate.cpp |
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- | rw-r--r-- | 6,695 | Validate.h |
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- | rw-r--r-- | 15,691 | test1.cpp |
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- | rw-r--r-- | 6,530 | test2.cpp |
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- | rw-r--r-- | 6,329 | testCharge.cpp |
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- | rw-r--r-- | 7,858 | testFragment.cpp |
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- | rw-r--r-- | 3,256 | testNormalize.cpp |
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- | rw-r--r-- | 11,254 | testPCS.cpp |
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- | rw-r--r-- | 33,214 | testTautomer.cpp |
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- | rw-r--r-- | 12,083 | testValidate.cpp |