Scilligence MolEngine Cheminformatics Toolkit (7.0)
Scilligence MolEngine Cheminformatics Toolkit (7.0)
Scilligence.MolEngine
ForceField Class
ForceField Methods
Calculate Method
ComputeProperties Method
ConvertTo3D Method
Optimize Method
XLogP Method
ForceField
Calculate Method
Namespace:
Scilligence.MolEngine
Assembly:
Scilligence.MolEngine (in Scilligence.MolEngine.dll) Version: 1.3.0.0 (7.0.0.39951)
Syntax
C#
Copy
public
bool
Calculate
(
bool
opt
,
bool
logp
,
bool
props
)
Parameters
opt
Type:
System
Boolean
logp
Type:
System
Boolean
props
Type:
System
Boolean
Return Value
Type:
Boolean
See Also
Reference
ForceField Class
Scilligence.MolEngine Namespace