array of float, array of float
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array of float, array of float
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create_rotor_pdb(file=None,
dir=None,
rotor_angle=None,
axis=None,
axis_pt=True,
centre=None,
span=2e-09,
blade_length=5e-10,
force=False,
staggered=False)
Create a PDB representation of a rotor motional model. |
source code
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create_vector_dist(length=None,
symmetry=True,
file=None,
dir=None,
force=False)
Create a PDB representation of the vector distribution. |
source code
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generate_vector_dist(mol=None,
res_name=None,
res_num=None,
chain_id='
' ,
centre=array([ 0., 0., 0.]),
R=array([[ 1., 0., 0... ,
warp=array([[ 1., 0., 0... ,
limit_check=None,
scale=1.0,
inc=20,
distribution=' uniform ' ,
debug=False)
Generate a uniformly distributed distribution of atoms on a warped
sphere. |
source code
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int
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generate_vector_residues(mol=None,
vector=None,
atom_name=None,
res_name_vect=' AXS ' ,
sim_vectors=None,
res_name_sim=' SIM ' ,
chain_id='
' ,
res_num=None,
origin=None,
scale=1.0,
label_placement=1.1,
neg=False)
Generate residue representations for the vector and the MC
simulationed vectors. |
source code
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str
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list of rank-1, 3D numpy arrays
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