Package | Description |
---|---|
ambit2.mopac | |
ambit2.rest.model.predictor |
Modifier and Type | Class and Description |
---|---|
class |
MopacShell
Runs MOPAC and smi2sdf + mengine as means to generate the starting 3D structure
|
class |
MopacShellBalloon |
class |
MopacShellOB |
Modifier and Type | Field and Description |
---|---|
protected AbstractMopacShell |
DescriptorMopacShell.mopac_shell |
protected AbstractMopacShell |
MopacUtilities.shell |
Modifier and Type | Field and Description |
---|---|
protected AbstractMopacShell |
StructureProcessor.mopacshell |
Modifier and Type | Method and Description |
---|---|
AbstractMopacShell |
StructureProcessor.createPredictor(ModelQueryResults model) |
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