Topology#
Getting the bondgraph of a molecular system |
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Getting the sets of atoms that stay covalently connected, optionally after removing bonds |
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Finding paths of covalently bonded atoms matching an ordered pattern |
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Getting the quartets of atoms defining specific dihedral angles in a molecular system |
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Getting the sequence alignment of a molecular system over a reference molecular system |
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Getting the sequence identity of a molecular system over a reference molecular system |