/ . / MultiScale / nearby.py
Functions
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atoms_and_chains
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atoms_and_chains (
asets,
ilists,
load_atoms,
)
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sublist
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sublist ( list, indices )
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select_nearby
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select_nearby (
distance,
load_atoms,
displayed_only,
)
Select atoms and chains near the currently selected atoms and chains.
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all_multiscale_chains
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all_multiscale_chains ()
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atomic_contacts
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atomic_contacts (
asets1,
asets2,
distance,
load_atoms,
)
Find atomic contacts between two sets of multiscale chains.
Return contact atoms, optionally loading atoms if needed.
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chain_atom_subset
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chain_atom_subset ( ca )
Make Atom_Set for subset of atoms from multiscale chain.
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molecule_atom_set
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molecule_atom_set ( ma )
Make Atom_Set for subset of atoms not in a multiscale chain.
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chain_atom_sets
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chain_atom_sets ( cplist )
Get chain coordinates and transforms. Chains that differ only by a transform
use the same NumPy array of coordinates.
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group_atoms
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group_atoms ( atoms )
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select_contacts
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select_contacts (
distance,
load_atoms,
displayed_only,
)
Select contacts between selected and unselected atoms and chains
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remove_undisplayed_table_atoms
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remove_undisplayed_table_atoms ( table )
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select_atoms_and_chains
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select_atoms_and_chains ( atoms, cplist )
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atom_shown
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atom_shown ( a )
Check if atom, ribbon or multiscale surface is shown for an atom.
TODO: Would like to check MSMS surface representation too.
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chain_transform
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chain_transform ( cp )
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selected_and_unselected_atom_sets
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selected_and_unselected_atom_sets ( displayed_only )
Deal with loaded and unloaded atoms, multiscale and non-multiscale models,
and atom and multiscale chain selections.
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subtract_lists
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subtract_lists ( list1, list2 )
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selected_multiscale_chains
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selected_multiscale_chains ()
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all_atoms_and_chains
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all_atoms_and_chains ( asets, load_atoms )
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