Index

A

align() (in module grits.utils)

anchors (grits.coarsegrain.CG_Compound attribute) atomistic (grits.coarsegrain.CG_Compound attribute)

B

backmap() (in module grits.finegrain)

Bead (class in grits.coarsegrain) bond_map (grits.coarsegrain.CG_Compound attribute)

C

CG_Compound (class in grits.coarsegrain)

CG_System (class in grits.coarsegrain) comp_from_snapshot() (in module grits.utils)

D

default() (grits.utils.NumpyEncoder method)

G

get_bonded() (in module grits.utils) get_bonds() (in module grits.utils) get_com() (in module grits.utils) get_heavy_atoms() (in module grits.utils) get_hydrogen() (in module grits.utils) get_index() (in module grits.utils) get_major_axis() (in module grits.utils)

get_quaternion() (in module grits.utils) grits.coarsegrain module grits.finegrain module grits.utils module

H

has_common_member() (in module grits.utils)

has_number() (in module grits.utils)

M

mapping (grits.coarsegrain.CG_Compound attribute) (grits.coarsegrain.CG_System attribute) module grits.coarsegrain grits.finegrain grits.utils

N

num2str() (in module grits.utils)

NumpyEncoder (class in grits.utils)

O

orientation (grits.coarsegrain.Bead attribute)

S

save() (grits.coarsegrain.CG_System method) save_mapping() (grits.coarsegrain.CG_Compound method) (grits.coarsegrain.CG_System method)

smarts (grits.coarsegrain.Bead attribute)

V

visualize() (grits.coarsegrain.CG_Compound method)