The small hydrocarbon ethane, C2H6, which has a single torsion degree of freedom. More...
#include <Compound.h>
Public Member Functions | |
Ethane () | |
Ethane & | setDefaultTorsionAngle (Angle angle) |
Sets dihedral angle about C-C bond. | |
Angle | calcDefaultTorsionAngle () const |
The small hydrocarbon ethane, C2H6, which has a single torsion degree of freedom.
Ethane | ( | ) | [inline] |
References Compound::bondCompound(), Compound::convertInboardBondCenterToOutboard(), Compound::defineDihedralAngle(), Biotype::EthaneC(), Biotype::EthaneH(), Compound::nameAtom(), Compound::setBaseCompound(), Compound::setCompoundName(), Ethane::setDefaultTorsionAngle(), and Compound::setPdbResidueName().
Angle calcDefaultTorsionAngle | ( | ) | const [inline] |
References Compound::calcDefaultDihedralAngle().
Sets dihedral angle about C-C bond.
angle | dihedral angle about C-C bond in radians |
References Compound::setDefaultDihedralAngle().
Referenced by Ethane::Ethane().