Module reorder_atom

Functions to reorder atoms.

Classes

Node

Functions

reroot(node)

add_atoms_onto_tree(atoms, nodes)

treeify_indices(ct)

set_tree_index(level, index=1)
`level' must be a list of `Node' objects.

atoms_within_3_bonds(atom)

maid(ct)

reorder_atom(cts, ct_indices)

Variables

in_fname = sys.argv [1]

ct_indices = []

cts = reorder_atom(structure.StructureReader(in_fname), ct_ind...

out_fname = sys.argv [2]

__package__ = 'schrodinger.application.desmond'

Variables Details

Value:

reorder_atom(structure.StructureReader(in_fname), ct_indices)