OBChainsParser Class Reference
Perceives peptide or nucleotide chains and residues in an OBMol. More...
#include <openbabel/chains.h>
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().
The documentation for this class was generated from the following files:
