schrodinger.energy module¶

schrodinger::energy C++ wrappers

class schrodinger.energy.AOMType¶

Bases: object

NI2 = 0¶

CU2 = 1¶

FE2 = 2¶

H2O = 3¶

Cl = 4¶

ASP = 5¶

HIS = 6¶

CYS = 7¶

PYRIDINE = 8¶

TRIAZOLOPYRIDINE = 9¶

class schrodinger.energy.ComputeForce¶

Bases: object

Enable = True¶

Disable = False¶

class schrodinger.energy.ANIModel¶

Bases: object

SCHRODINGER = 1¶

ANI_1CCX = 2¶

DESMOND = 3¶

class schrodinger.energy.ANIPrecision¶

Bases: object

SINGLE = 4¶

DOUBLE = 8¶