cgexplore.terms

terms package.

Classes

Angle	Class containing angle defintion.
Bond	Class containing bond defintion used in Forcefield.
CosineAngle	Class containing cosine-angle defintion.
FoundAngle	Define a found forcefield term.
FoundTorsion	Define a found forcefield term.
MartiniAngleRange	Defines a target angle and ranges in parameters to search for.
MartiniBondRange	Defines a target bond and ranges in parameters to search for.
MartiniTorsionRange	Defines a target torsion and ranges in parameters to search for.
Nonbonded	Class containing term defintion.
PyramidAngleRange	Defines a target angle and ranges in parameters to search for.
TargetAngle	Defines a target angle to search for in a molecule.
TargetAngleRange	Defines a target angle and ranges in parameters to search for.
TargetBond	Defines a target term to search for in a molecule.
TargetBondRange	Defines a target term and ranges in parameters to search for.
TargetCosineAngle	Defines a target angle to search for in a molecule.
TargetCosineAngleRange	Defines a target angle and ranges in parameters to search for.
TargetMartiniAngle	Defines a target angle to search for in a molecule.
TargetMartiniBond	Defines a target angle to search for in a molecule.
TargetMartiniTorsion	Defines a target angle to search for in a molecule.
TargetNonbonded	Defines a target term to search for in a molecule.
TargetNonbondedRange	Defines a target term and ranges in parameters to search for.
TargetPyramidAngle	Defines a target angle to search for in a molecule.
TargetTorsion	Defines a target term to search for in a molecule.
TargetTorsionRange	Defines a target term and ranges in parameters to search for.
Torsion	Class containing torsion defintion.

Functions

find_angles	Find angles based on bonds in molecule.
find_torsions	Find torsions based on bonds in molecule.