Element#
MolSysMT defines an orthogonal hierarchy of structural element tiers to represent molecular topologies at multiple levels of granularity—from individual atoms to macromolecular chains and distinct chemical entities.
Validating recognized topological element tiers |
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Checking structural containment relationships |
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Operations for individual atom entities |
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Operations for residue and functional group entities |
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Operations for covalently connected polymer components |
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Operations for distinct chemical molecules |
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Operations for molecular species and entity definitions |
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Operations for structural chains and macromolecular strands |