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Atom group (residue or molecule) in a PDB file
This is an abstract base class. Instances can be created using one of the subclasses (Molecule, AminoAcidResidue, NucleotideResidue).
Group objects permit iteration over atoms with for-loops, as well as extraction of atoms by indexing with the atom name.
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__getitem__(self, item) | |||
__init__(self, name, atoms=None, number=None) | |||
__len__(self) | |||
__repr__(self) | |||
__str__(self) | |||
addAtom(self,
atom) Add an atom to the group |
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changeName(self,
name) Set the PDB residue name |
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deleteAtom(self,
atom) Remove an atom from the group |
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deleteHydrogens(self) Remove all hydrogen atoms of the group |
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isCompatible(self, residue_data) | |||
writeToFile(self,
file) Write the group to a file |
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Add an atom to the group
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Set the PDB residue name
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Remove an atom from the group
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Remove all hydrogen atoms of the group |
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Write the group to a file
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