Class Structure

Count of all bonds (intra- and inter-unit) in the structure

Conformation transformation that was applied to every unit of this structure.

Coordinate system applies to the current structure only. A parent structure can have a different coordinate system and thefore it has to be composed "manualy" by the consumer.

Property data unique to this instance of the structure.

Count of all elements in the structure, i.e. the sum of the elements in the units

Contains some atomic units

Contains some coarse units

Property data of the parent structure if it exists, currentPropertyData otherwise.

Contains only atomic units

Contains only coarse units

True if any model the structure is based on is coarse grained.

See

Model.isCoarseGrained

The master-model, other models can have bonds to it

If the structure is based on a single model or has a master-/representative-model, return it. Otherwise throw an exception.

The root/top-most parent or undefined in case this is the root

Count of all polymer gaps in the structure

Count of all polymer residues in the structure

A representative model, e.g. the first model of a trajectory

The parent or itself in case this is the root

Provides mapping for serial element indices accross all units.

Note that this is especially costly for structures with many units that are grouped into few symmetry groups. Use only when needed and prefer StructureElement to address elements in a structure.

Get the proxy target. Usefull for equality checks.

Hash based on all unit.id values in the structure, reflecting the units transformation

Maps unit.id to index of SymmetryGroup in unitSymmetryGroups array