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class AminoAcidDescriptor
{
%TypeHeaderCode
#include <BALL/STRUCTURE/peptideBuilder.h>
using namespace BALL::Peptides;
%End
public:
AminoAcidDescriptor();
AminoAcidDescriptor(const String& , const Angle& =Angle(-47.,false),
const Angle& = Angle(-58.,false), const Angle& = Angle(180.,false));
virtual ~AminoAcidDescriptor();
AminoAcidDescriptor(const AminoAcidDescriptor& );
void setAminoAcidType(const String& );
void setPhi(const Angle& );
void setPsi(const Angle& );
void setOmega(const Angle& );
const String& getType() const;
const Angle& getPhi() const;
const Angle& getPsi() const;
const Angle& getOmega() const;
SIP_PYOBJECT __str__();
%MethodCode
sipRes = PyString_FromString((String("{ ") + sipCpp->getType() + " " +
String(sipCpp->getPhi().toDegree()) + " " +
String(sipCpp->getPsi().toDegree()) + " " +
String(sipCpp->getOmega().toDegree()) + " }").c_str());
%End
};
class PeptideBuilder
{
%TypeHeaderCode
#include <BALL/STRUCTURE/peptideBuilder.h>
using namespace BALL::Peptides;
%End
public:
PeptideBuilder();
PeptideBuilder(const String&, const Angle& = Angle(-47., false),
const Angle& = Angle(-58., false), const Angle& = Angle(180., false));
PeptideBuilder(const PeptideBuilder&);
virtual ~PeptideBuilder();
void addAminoAcid(const String&, const Angle& =Angle(-47.,false),
const Angle& =Angle(-58.,false), const Angle& =Angle(180.,false));
void addAminoAcid(const AminoAcidDescriptor&);
void setChainName(const String&);
const String& getChainName() const;
void setProteinName(const String&);
const String& getProteinName() const;
Protein* construct();
void setFragmentDB(const FragmentDB*);
const FragmentDB* getFragmentDB() const;
};
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