def get_axis_anchor(residue, i_chi):
"""
Returns the axis of rotation and an anchor point of i_chi
dihedral of residue.
"""
res_chi_topology = data.get_res_chi_topology(residue.type)
p = [residue.atom(a).pos for a in res_chi_topology[i_chi]]
axis = p[2] - p[1]
anchor = p[2]
return axis, anchor
def calculate_chi(residue, i_chi):
"""
Returns the angle for the i_chi dihedral angle of residue.
"""
res_chi_topology = data.get_res_chi_topology(residue.type)
if i_chi < len(res_chi_topology):
atom_types = res_chi_topology[i_chi]
crds = [residue.atom(t).pos for t in atom_types]
return v3.normalize_angle(v3.dihedral(*crds))
raise ValueError, "No Chi%d angle for residue %d" % (i_chi, i)
def get_axis_anchor(residue, i_chi): """ Returns the axis of rotation and an anchor point of i_chi dihedral of residue. """ res_chi_topology = data.get_res_chi_topology(residue.type) p = [residue.atom(a).pos for a in res_chi_topology[i_chi]] axis = p[2] - p[1] anchor = p[2] return axis, anchor
def calculate_chi(residue, i_chi):
"""
Returns the angle for the i_chi dihedral angle of residue.
"""
res_chi_topology = data.get_res_chi_topology(residue.type)
if i_chi < len(res_chi_topology):
atom_types = res_chi_topology[i_chi]
crds = [residue.atom(t).pos for t in atom_types]
return v3.normalize_angle(v3.dihedral(*crds))
raise ValueError, "No Chi%d angle for residue %d" % (i_chi, i)
def get_n_chi(residue):
"""
Returns the number of chi angles of residue.
"""
return len(data.get_res_chi_topology(residue.type))
def get_n_chi(residue): """ Returns the number of chi angles of residue. """ return len(data.get_res_chi_topology(residue.type))
