OBChainsParser Class Reference

Perceives peptide or nucleotide chains and residues in an OBMol. More...

#include <openbabel/chains.h>

List of all members.

Public Member Functions

 OBChainsParser (void)
 ~OBChainsParser (void)
bool PerceiveChains (OBMol &mol, bool nukeSingleResidue=false)

Detailed Description

Perceives peptide or nucleotide chains and residues in an OBMol.

Perceive peptide or nucleotide chains and residues from atom connectivity. Based on original RasMol code by Roger Sayle and modified by Joe Corkery. For more on Roger's original talk, see: http://www.daylight.com/meetings/mug96/sayle/sayle.html


Constructor & Destructor Documentation

OBChainsParser ( void   ) 
~OBChainsParser ( void   ) 

Member Function Documentation

bool PerceiveChains ( OBMol mol,
bool  nukeSingleResidue = false 
)

Perceive macromolecular (peptide and nucleotide) residues and chains

Parameters:
mol The molecule to parse and update
nukeSingleResidue If only one residue is found, clear information default = false -- single residue files should still be recognized.

Referenced by OBAtom::GetResidue().


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