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construct_cbeta.hh
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1 //------------------------------------------------------------------------------
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3 //
4 // Copyright (C) 2008-2020 by the OpenStructure authors
5 //
6 // This library is free software; you can redistribute it and/or modify it under
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18 //------------------------------------------------------------------------------
19 #ifndef OST_MOL_ALG_CONSTRUCT_CBETA_HH
20 #define OST_MOL_ALG_CONSTRUCT_CBETA_HH
21 
22 #include <ost/mol/entity_view.hh>
24 
25 namespace ost { namespace mol { namespace alg {
26 
27 
28 geom::Vec3 DLLEXPORT_OST_MOL_ALG CBetaPosition(const ResidueHandle& residue,
29  Real bond_length=1.5);
30 
32  const geom::Vec3& ca_pos,
33  const geom::Vec3& c_pos,
34  Real bond_length=1.5);
35 
36 void DLLEXPORT_OST_MOL_ALG ConstructCBetas(EntityHandle& entity_handle,
37  bool include_gly=false);
38 
39 
40 }}} // ns
41 
42 #endif // OST_MOL_ALG_CONSTRUCT_CBETA_HH
#define DLLEXPORT_OST_MOL_ALG
float Real
Definition: base.hh:44
void DLLEXPORT_OST_MOL_ALG ConstructCBetas(EntityHandle &entity_handle, bool include_gly=false)
Three dimensional vector class, using Real precision.
Definition: vec3.hh:43
geom::Vec3 DLLEXPORT_OST_MOL_ALG CBetaPosition(const ResidueHandle &residue, Real bond_length=1.5)