List of all members.
PProtein, allowing the user to pass only a pointer to the loop and, if desired, the direction as a
ProteinSideparameter. The standard
PCCDSolverfunctions can then be used to perform cyclic coordinate descent.
Public Member Functions
|PProteinCCDSolver (PProtein *loop)|
|PProteinCCDSolver (PProtein *loop, ProteinSide side)|
Constructs a new
PProteinCCDSolver for the specified
loop. The direction is selected automatically based on distances between anchor and end effector atoms: whichever
ProteinSide (start/end) has the greater C-N anchor-effector distance is used.
Constructs a new PProteinCCDSolver for the specified protein, using the specified ProteinSide to select anchors/end effectors.