Package | Description |
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ambit2.mopac | |
ambit2.rest.model.predictor |
Class and Description |
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AbstractMopacShell
Runs OpenMopac as an external executable and reads the results back.
|
DescriptorMopacShell
Used by
DescriptorMopacShell Invokes mopac.exe from Mopac 7.1 http://openmopac.net/Downloads/Downloads.html. Doesn't work for molecules with number of heavy atoms > 60, number of all atoms > 120. |
Class and Description |
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AbstractMopacShell
Runs OpenMopac as an external executable and reads the results back.
|
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