IntLoader Class Reference

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

Inheritance diagram for IntLoader:

Collaboration diagram for IntLoader:

Public Member Functions
virtual void	loadAminoAcid (AminoAcid &aa)
virtual void	loadGroup (Group &group)
virtual void	loadLigand (Ligand &l)
virtual void	loadSideChain (SideChain &sc, AminoAcid *aaRef)
virtual void	loadSpacer (Spacer &sp)

Protected Member Functions
void	setBonds (Spacer &sp)

Detailed Description

Loads components (Atoms, Groups, etc.) in internal format.

Internal format is defined by listing type, bond length partner & bond length, bond angle partner & bond angle, torsion angle partner & torsion angle plus a chirality (0 if it is a 'true' torsion angle, +1 or -1 if the 'torsion angle' is a second bond angle), for each atom, one per line. NB: Only chirality 0 is currently supported.

Member Function Documentation

void loadAminoAcid ( AminoAcid &  aa )

virtual

Loads an AminoAcid in INT format.

Parameters

AminoAcid

reference

Returns

void

Reimplemented from Loader.

void loadGroup ( Group &  group )

virtual

Loads a Group in INT format

Parameters

group

reference

Returns

void

Reimplemented from Loader.

void loadLigand ( Ligand &  l )

virtual

Load a Ligand from a file in Tinker format.

Parameters

Ligand

reference

Returns

void

Reimplemented from Loader.

void loadSideChain ( SideChain &  sc, AminoAcid *  aaRef  )

virtual

Loads a sidechain in INT format.

Parameters

SideChain

reference, AminoAcid pointer

Returns

void

void loadSpacer ( Spacer &  sp )

virtual

Load a spacer from a file in Tinker format.

Parameters

Spacer

reference

Returns

void

Reimplemented from Loader.

void setBonds ( Spacer &  sp )

protected

Private helper function to set bond structure after loading the spacer.

Parameters

@return

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

• Biopool/Sources/IntLoader.h
• Biopool/Sources/IntLoader.cc