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Rosetta
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#include <protocols/drug_design/ConformationSelectionToRDMol.hh>#include <core/chemical/rdkit/RestypeToRDMol.hh>#include <core/chemical/rdkit/util.hh>#include <core/chemical/Bond.hh>#include <core/conformation/Conformation.hh>#include <core/conformation/Residue.hh>#include <core/chemical/ResidueConnection.hh>#include <core/id/AtomID.hh>#include <utility/numbers.hh>#include <utility/exit.hh>#include <basic/Tracer.hh>#include <rdkit/GraphMol/RWMol.h>#include <rdkit/GraphMol/Atom.h>#include <rdkit/GraphMol/MonomerInfo.h>#include <rdkit/GraphMol/Bond.h>#include <rdkit/GraphMol/Conformer.h>#include <rdkit/GraphMol/MolOps.h>#include <rdkit/GraphMol/SanitException.h>#include <rdkit/Geometry/point.h>#include <rdkit/GraphMol/SmilesParse/SmilesWrite.h>#include <core/chemical/Element.hh>Namespaces | |
| protocols | |
| The instance of Loops contained by AbrelaxApplication should be replaced by a LoopsOP. | |
| protocols::drug_design | |
Functions | |
| static basic::Tracer | protocols::drug_design::TR ("protocols.drug_design.ConformationSelectionToRDMol") |