Index

_

__init__() (paramagpy.dataparse.DataContainer method) (paramagpy.fit.DensityMap method) (paramagpy.metal.Metal method) (paramagpy.protein.CustomAtom method) (paramagpy.protein.CustomStructure method) (paramagpy.protein.CustomStructureBuilder method) (paramagpy.protein.PyMolScript method)

A

a (paramagpy.metal.Metal property) add() (paramagpy.protein.CustomStructure method) add_atom() (paramagpy.protein.PyMolScript method) add_map() (paramagpy.protein.PyMolScript method) add_pdb() (paramagpy.protein.PyMolScript method) alignment_factor (paramagpy.metal.Metal property) atom_ccr() (paramagpy.metal.Metal method)

atom_pcs() (paramagpy.metal.Metal method) atom_pre() (paramagpy.metal.Metal method) atom_rdc() (paramagpy.metal.Metal method) atom_set_position() (paramagpy.metal.Metal method) atom_to_internal_coordinates() (paramagpy.protein.CustomStructure method) average() (paramagpy.metal.Metal method) ax (paramagpy.metal.Metal property)

B

b (paramagpy.metal.Metal property)

B0_MHz (paramagpy.metal.Metal property)

C

ccr() (paramagpy.metal.Metal method) center_of_mass() (paramagpy.protein.CustomStructure method) clear() (paramagpy.dataparse.DataContainer method) copy() (paramagpy.dataparse.DataContainer method) (paramagpy.metal.Metal method) (paramagpy.protein.CustomAtom method) (paramagpy.protein.CustomStructure method)

csa (paramagpy.protein.CustomAtom property) csa_lib (paramagpy.protein.CustomAtom attribute) CustomAtom (class in paramagpy.protein) CustomStructure (class in paramagpy.protein) CustomStructureBuilder (class in paramagpy.protein)

D

DataContainer (class in paramagpy.dataparse) DensityMap (class in paramagpy.fit) detach_child() (paramagpy.protein.CustomStructure method) detach_parent() (paramagpy.protein.CustomAtom method) (paramagpy.protein.CustomStructure method)

dipole_shift_tensor() (paramagpy.metal.Metal method) (paramagpy.protein.CustomAtom method) dsa_r1() (paramagpy.metal.Metal method) dsa_r2() (paramagpy.metal.Metal method)

E

eigenvalues (paramagpy.metal.Metal property) ensemble_average() (in module paramagpy.fit) euler_to_matrix() (in module paramagpy.metal)

extract_atom_data() (in module paramagpy.fit) extract_ccr_data() (in module paramagpy.fit) extract_rdc_data() (in module paramagpy.fit)

F

fast_ccr() (paramagpy.metal.Metal method) fast_dipole_shift_tensor() (paramagpy.metal.Metal method) fast_dsa_r1() (paramagpy.metal.Metal method) fast_dsa_r2() (paramagpy.metal.Metal method) fast_first_invariant_squared() (paramagpy.metal.Metal static method) fast_g_sbm_r1() (paramagpy.metal.Metal method) fast_pcs() (paramagpy.metal.Metal method) fast_pre() (paramagpy.metal.Metal method) fast_racs() (paramagpy.metal.Metal method) fast_rads() (paramagpy.metal.Metal method) fast_rdc() (paramagpy.metal.Metal method)

fast_sbm_r1() (paramagpy.metal.Metal method) fast_sbm_r2() (paramagpy.metal.Metal method) fast_second_invariant_squared() (paramagpy.metal.Metal static method) first_invariant_squared() (paramagpy.metal.Metal static method) fit_error_bootstrap() (in module paramagpy.fit) fit_error_models() (in module paramagpy.fit) fit_error_monte_carlo() (in module paramagpy.fit) fit_scaling (paramagpy.metal.Metal attribute) flag_disorder() (paramagpy.protein.CustomAtom method) fromkeys() (paramagpy.dataparse.DataContainer method) fundamental_attributes (paramagpy.metal.Metal attribute)

G

g (paramagpy.metal.Metal property) g_eigenvalues (paramagpy.metal.Metal property) g_isotropy (paramagpy.metal.Metal property) g_sbm_r1() (paramagpy.metal.Metal method) g_tensor (paramagpy.metal.Metal property) GAMMA (paramagpy.metal.Metal attribute) gax (paramagpy.metal.Metal property) get() (paramagpy.dataparse.DataContainer method) get_altloc() (paramagpy.protein.CustomAtom method) get_anisou() (paramagpy.protein.CustomAtom method) get_atoms() (paramagpy.protein.CustomStructure method) get_bfactor() (paramagpy.protein.CustomAtom method) get_chains() (paramagpy.protein.CustomStructure method) get_charge() (paramagpy.protein.CustomAtom method) get_coord() (paramagpy.protein.CustomAtom method) get_full_id() (paramagpy.protein.CustomAtom method) (paramagpy.protein.CustomStructure method) get_fullname() (paramagpy.protein.CustomAtom method) get_id() (paramagpy.protein.CustomAtom method) (paramagpy.protein.CustomStructure method) get_iterator() (paramagpy.protein.CustomStructure method)

get_level() (paramagpy.protein.CustomAtom method) (paramagpy.protein.CustomStructure method) get_list() (paramagpy.protein.CustomStructure method) get_models() (paramagpy.protein.CustomStructure method) get_name() (paramagpy.protein.CustomAtom method) get_occupancy() (paramagpy.protein.CustomAtom method) get_params() (paramagpy.metal.Metal method) get_parent() (paramagpy.protein.CustomAtom method) (paramagpy.protein.CustomStructure method) get_radius() (paramagpy.protein.CustomAtom method) get_residues() (paramagpy.protein.CustomStructure method) get_serial_number() (paramagpy.protein.CustomAtom method) get_sigatm() (paramagpy.protein.CustomAtom method) get_siguij() (paramagpy.protein.CustomAtom method) get_structure() (paramagpy.protein.CustomStructureBuilder method) get_vector() (paramagpy.protein.CustomAtom method) grh (paramagpy.metal.Metal property) gridsearch_fit_atom_from_pcs() (in module paramagpy.fit) gridsearch_fit_atom_restrain_distance() (in module paramagpy.fit) gridsearch_fit_atom_restrain_distance_cutoff() (in module paramagpy.fit) gyro_lib (paramagpy.protein.CustomAtom attribute)

H

has_id() (paramagpy.protein.CustomStructure method)

HBAR (paramagpy.metal.Metal attribute) (paramagpy.protein.CustomAtom attribute)

I

id (paramagpy.protein.CustomStructure property) info() (paramagpy.metal.Metal method) init_atom() (paramagpy.protein.CustomStructureBuilder method) init_chain() (paramagpy.protein.CustomStructureBuilder method) init_model() (paramagpy.protein.CustomStructureBuilder method) init_residue() (paramagpy.protein.CustomStructureBuilder method) init_seg() (paramagpy.protein.CustomStructureBuilder method)

init_structure() (paramagpy.protein.CustomStructureBuilder method) insert() (paramagpy.protein.CustomStructure method) internal_to_atom_coordinates() (paramagpy.protein.CustomStructure method) is_disordered() (paramagpy.protein.CustomAtom method) iso (paramagpy.metal.Metal property) isomap() (paramagpy.metal.Metal method) isotropy (paramagpy.metal.Metal property) items() (paramagpy.dataparse.DataContainer method)

K

K (paramagpy.metal.Metal attribute)

keys() (paramagpy.dataparse.DataContainer method)

L

lanth_axrh (paramagpy.metal.Metal attribute) lanth_lib (paramagpy.metal.Metal attribute)

load_pdb() (in module paramagpy.protein) lower_coords (paramagpy.metal.Metal attribute)

M

make_mesh() (paramagpy.metal.Metal method) make_tensor() (in module paramagpy.metal) matrix_to_euler() (in module paramagpy.metal) Metal (class in paramagpy.metal) metal_standard_deviation() (in module paramagpy.fit) module paramagpy.dataparse paramagpy.fit paramagpy.metal paramagpy.protein

move_to_end() (paramagpy.dataparse.DataContainer method) MU0 (paramagpy.metal.Metal attribute) (paramagpy.protein.CustomAtom attribute) MUB (paramagpy.metal.Metal attribute)

N

nlr_fit_metal_from_ccr() (in module paramagpy.fit)

nlr_fit_metal_from_pcs() (in module paramagpy.fit) nlr_fit_metal_from_pre() (in module paramagpy.fit)

P

paramagpy.dataparse module paramagpy.fit module paramagpy.metal module paramagpy.protein module parse() (paramagpy.protein.CustomStructure method) pcs() (paramagpy.metal.Metal method)

pcs_gradient() (paramagpy.metal.Metal method) pcs_gradient_orthogonality_cross() (in module paramagpy.fit) pcs_gradient_orthogonality_dot() (in module paramagpy.fit) pcs_mesh() (paramagpy.metal.Metal method) pop() (paramagpy.dataparse.DataContainer method) popitem() (paramagpy.dataparse.DataContainer method) position (paramagpy.protein.CustomAtom property) pre() (paramagpy.metal.Metal method) pre_mesh() (paramagpy.metal.Metal method) PyMolScript (class in paramagpy.protein)

Q

qfactor() (in module paramagpy.fit)

R

racs() (paramagpy.metal.Metal method) rads() (paramagpy.metal.Metal method) rdc() (paramagpy.metal.Metal method) read_ccr() (in module paramagpy.dataparse) read_pcs() (in module paramagpy.dataparse)

read_pre() (in module paramagpy.dataparse) read_rdc() (in module paramagpy.dataparse) rh (paramagpy.metal.Metal property) rotation_matrix() (in module paramagpy.protein) rotationMatrix (paramagpy.metal.Metal property)

S

saupe_factor (paramagpy.metal.Metal property) save() (paramagpy.metal.Metal method) sbm_r1() (paramagpy.metal.Metal method) sbm_r2() (paramagpy.metal.Metal method) second_invariant_squared() (paramagpy.metal.Metal static method) set_altloc() (paramagpy.protein.CustomAtom method) set_anisou() (paramagpy.protein.CustomAtom method) (paramagpy.protein.CustomStructureBuilder method) set_bfactor() (paramagpy.protein.CustomAtom method) set_charge() (paramagpy.protein.CustomAtom method) set_coord() (paramagpy.protein.CustomAtom method) set_header() (paramagpy.protein.CustomStructureBuilder method) set_Jg() (paramagpy.metal.Metal method) set_lanthanide() (paramagpy.metal.Metal method) set_line_counter() (paramagpy.protein.CustomStructureBuilder method) set_occupancy() (paramagpy.protein.CustomAtom method) set_params() (paramagpy.metal.Metal method)

set_parent() (paramagpy.protein.CustomAtom method) (paramagpy.protein.CustomStructure method) set_radius() (paramagpy.protein.CustomAtom method) set_serial_number() (paramagpy.protein.CustomAtom method) set_sigatm() (paramagpy.protein.CustomAtom method) (paramagpy.protein.CustomStructureBuilder method) set_siguij() (paramagpy.protein.CustomAtom method) (paramagpy.protein.CustomStructureBuilder method) set_symmetry() (paramagpy.protein.CustomStructureBuilder method) set_utr() (paramagpy.metal.Metal method) setdefault() (paramagpy.dataparse.DataContainer method) spec_dens() (paramagpy.metal.Metal static method) sphere_grid() (in module paramagpy.fit) svd_calc_metal_from_pcs() (in module paramagpy.fit) svd_calc_metal_from_pcs_offset() (in module paramagpy.fit) svd_calc_metal_from_rdc() (in module paramagpy.fit) svd_fit_metal_from_rdc() (in module paramagpy.fit) svd_gridsearch_fit_metal_from_pcs() (in module paramagpy.fit)

T

tauc (paramagpy.metal.Metal property) tensor (paramagpy.metal.Metal property) tensor_alignment (paramagpy.metal.Metal property) tensor_saupe (paramagpy.metal.Metal property)

tensor_traceless (paramagpy.metal.Metal property) top() (paramagpy.protein.CustomAtom method) transform() (paramagpy.protein.CustomAtom method) (paramagpy.protein.CustomStructure method)

U

unique_eulers() (in module paramagpy.metal) update() (paramagpy.dataparse.DataContainer method) upper_coords (paramagpy.metal.Metal attribute)

upper_triang (paramagpy.metal.Metal property) upper_triang_alignment (paramagpy.metal.Metal property) upper_triang_saupe (paramagpy.metal.Metal property)

V

values() (paramagpy.dataparse.DataContainer method)

W

write() (paramagpy.protein.PyMolScript method)

write_isomap() (paramagpy.metal.Metal method) write_pymol_script() (paramagpy.metal.Metal method)

X

x (paramagpy.metal.Metal property)

Y

y (paramagpy.metal.Metal property)

Z

z (paramagpy.metal.Metal property)