OpenStructure
nonstandard.hh
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4 // Copyright (C) 2008-2020 by the OpenStructure authors
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18 //------------------------------------------------------------------------------
19 
20 #ifndef OST_MOL_ALG_NONSTANDARD_HH
21 #define OST_MOL_ALG_NONSTANDARD_HH
22 /*
23  Author: Marco Biasini, Juergen Haas
24  */
25 #include "module_config.hh"
27 
28 
29 
30 namespace ost { namespace mol { namespace alg {
31 
32 
34 
35 
38  ost::mol::XCSEditor& edi);
39 
45 
46 
56  bool& has_cbeta);
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65 
66 
70  bool& has_cbeta,
72 
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81 
85  bool& has_cbeta);
86 
87 
92 
93 
97  bool& has_cbeta);
98 
100 
102  ost::mol::ResidueHandle dst_res,
103  ost::mol::XCSEditor& edi,
104  bool& has_cbeta);
105 
108 
110  ost::mol::ResidueHandle dst_res,
111  ost::mol::XCSEditor& edi,
112  bool& has_cbeta,
114 
115 
116 
117 }}}
118 
119 #endif
external coordinate system editor
Definition: xcs_editor.hh:36
#define DLLEXPORT_OST_MOL_ALG
boost::shared_ptr< CompoundLib > CompoundLibPtr
Definition: compound_lib.hh:32
bool DLLIMPORT CopyResidue(ost::mol::ResidueHandle src_res, ost::mol::ResidueHandle dst_res, ost::mol::XCSEditor &edi)
copies all atom of src_res to dst_res, gets compound lib from builder
bool DLLIMPORT CopyModified(ost::mol::ResidueHandle src_res, ost::mol::ResidueHandle dst_res, ost::mol::XCSEditor &edi, bool &has_cbeta, ost::conop::CompoundLibPtr lib)
construct a dst_res with only atoms matching the standard aminoacid from src_res when src_res is an i...
bool DLLIMPORT CopyIdentical(ost::mol::ResidueHandle src_res, ost::mol::ResidueHandle dst_res, ost::mol::XCSEditor &edi, bool &has_cbeta)
copies all atom of src_res to dst_res
bool DLLIMPORT CopyConserved(ost::mol::ResidueHandle src_res, ost::mol::ResidueHandle dst_res, ost::mol::XCSEditor &edi, bool &has_cbeta, ost::conop::CompoundLibPtr lib)
copies atoms of src_res to dst_res, gets compound lib from builder
bool DLLIMPORT CopyMSE(ost::mol::ResidueHandle src_res, ost::mol::ResidueHandle dst_res, ost::mol::XCSEditor &edi, bool &has_cbeta)
construct dst_res from src_res when src_res is an MSE
bool DLLIMPORT CopyNonConserved(ost::mol::ResidueHandle src_res, ost::mol::ResidueHandle dst_res, ost::mol::XCSEditor &edi, bool &has_cbeta)
construct dst_res in case src_res and dst_res are not conserved.
Definition: base.dox:1