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IMP Reference Guide  develop.840389f980,2022/05/22
The Integrative Modeling Platform
IMP::atom::AtomType Class Reference

The type of an atom. More...

#include <IMP/atom/Atom.h>

Detailed Description

The type of an atom.

The standard Atom names in IMP are derived from the PDB names as follows:

  • the AtomType of a protein, DNA or RNA atom is the AtomType created from the PDB atom name string with spaces removed. For example, a protein C-alpha has the name AtomType("CA").
  • the AtomType for a hetero (HETATM) atom is the AtomType created by prefixing "HET:" to the PDB atom name string (this time without spaces removed). For example, a calcium atom is AtomType("HET:CA ").

We provide an AtomType instance for each of the standard PDB atom types. These have names such as IMP::atom::AT_N. The full list is elided for readability.

An AtomType implies an element (and hence a mass). While we have the associations set up for protein, DNA and RNA atoms, it may be necessary to add them for hetero atoms. You can use the add_atom_type() function to do this.

All atoms have the mass stored internally using a Mass decorator.

See Also
IMP::atom::Atom

The documentation for this class was generated from the following file: