#include <openbabel/chains.h>
Public Member Functions | |
OBChainsParser (void) | |
~OBChainsParser (void) | |
bool | PerceiveChains (OBMol &mol, bool nukeSingleResidue=false) |
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
OBChainsParser | ( | void | ) |
~OBChainsParser | ( | void | ) |
bool PerceiveChains | ( | OBMol & | mol, | |
bool | nukeSingleResidue = false | |||
) |
Perceive macromolecular (peptide and nucleotide) residues and chains
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. |