The Residue class represents a chemical residue, used commonly in the PDB format.
#include <avogadro/core/residue.h>
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std::string | m_residueName |
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Index | m_residueId |
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char | m_chainId |
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AtomNameMap | m_atomNameMap |
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◆ AtomNameMap
◆ Residue()
Creates a new, empty residue.
◆ addResidueAtom()
void addResidueAtom |
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std::string & |
name, |
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Atom & |
atom |
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) |
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Adds an atom to the residue class
◆ residueAtoms()
std::vector<Atom> residueAtoms |
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Returns a vector containing the atoms added to the residue
◆ resolveResidueBonds()
void resolveResidueBonds |
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Molecule & |
mol | ) |
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Sets bonds to atoms in the residue based on data from residuedata header
The documentation for this class was generated from the following file: