schrodinger.energy module
schrodinger::energy C++ wrappers
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class schrodinger.energy.MonoMetalComplexType
Bases: object
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LFMM = 0
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AOM = 1
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MORSE = 2
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DUMMY = 3
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class schrodinger.energy.MetalForceFieldComponent
Bases: object
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LIGAND_FIELD = 0
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CHARGE_TRANSFER = 1
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class schrodinger.energy.ANIModel
Bases: object
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SCHRODINGER = 1
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ANI_1CCX = 2
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DESMOND = 3
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class schrodinger.energy.ANIPrecision
Bases: object
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SINGLE = 4
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DOUBLE = 8
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class schrodinger.energy.Solvent
Bases: object
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NONE = 0
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H2O = 1
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class schrodinger.energy.SolventModel
Bases: object
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GBSA = 1
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ALPB = 0
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COSMO = 2
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class schrodinger.energy.QRNNModel
Bases: object
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DIRECT_2022_1 = 1
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DELTA_2022_1 = 2
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DELTA_TRANSFER_2022_1 = 3
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DIRECT_TRANSFER_2022_3 = 4