Loads components (Atoms, Groups, etc.) in XYZ (carthesian) format. More...

Inheritance diagram for XyzLoader:

Collaboration diagram for XyzLoader:

Public Member Functions
virtual void	loadAminoAcid (AminoAcid &aa)

virtual void	loadGroup (Group &gr)

virtual void	loadLigand (Ligand &l)

virtual void	loadSideChain (SideChain &sc, AminoAcid *aaRef=NULL)

virtual void	loadSpacer (Spacer &sp)

Detailed Description

Loads components (Atoms, Groups, etc.) in XYZ (carthesian) format.

Internal format is made of type, coords & bonds of each atom, one per line. Keywords "aminoacid" and "sidechain" delimit these structures.

Member Function Documentation

void loadAminoAcid ( AminoAcid & aa )

virtual

Loads an aminoacid in xyz format.

Parameters

AminoAcid reference

Reimplemented from Loader.

void loadGroup ( Group & gr )

virtual

Loads the information from the input stream into an atom group considering the xyz format.

Parameters

Group reference(Group&)

Reimplemented from Loader.

void loadLigand ( Ligand & l )

virtual

Loads a Ligand in xyz format.

Parameters

Ligand reference

Reimplemented from Loader.

virtual

Loads the side chain from the file, and returns the reference to the corresponding amino acid

Parameters

SideChain reference(SideChain&), AminoAcid pointer(AminoAcid&)

void loadSpacer ( Spacer & sp )

virtual

Loads a spacer in xyz format.

Parameters

Spacer reference

Reimplemented from Loader.

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