Rosetta
rdkit Directory Reference
Directory dependency graph for rdkit:
src/core/chemical/rdkit

Files

file  RDKit.fwd.hh
 Forward declarations which make working with RDKit nicer.
 
file  RDMolToRestype.cc
 A class for creating a residuetype based on a RDKit fragment.
 
file  RDMolToRestype.hh
 A class for creating a residuetype based on a RDKit molecule.
 
file  RestypeToRDMol.cc
 This class takes a residuetype from Rosetta and converts it into a RDKit RWMol object.
 
file  RestypeToRDMol.hh
 
file  util.cc
 Utilities for interacting with the RDKit library.
 
file  util.hh
 Utilities for interacting with the RDKit library.