e3129a9fb90b53fd5328a111dbabf7fed0a9f3b7,prody/dynamics/rtb.py,RTB,calcProjection,#RTB#Any#Any#,105

Before Change

                       natoms, nblocks, maxsize, 
                       15., 1.,
                       scale=float(kwargs.get("scale", 1.0)),
                       memlo=float(kwargs.get("membrane_low", 1.0)),
                       memhi=float(kwargs.get("membrane_high", 1.0)),)

        self._hessian = blessian
        self._dof = self._hessian.shape[0]

After Change

        calc_projection(coords, blocks, project, natoms, nblocks, nb6, maxsize)

        self._hessian = project.T.dot(hessian).dot(project)
        self._dof = self._hessian.shape[0]


    def getProjection(self):

Instances