OpenStructure
 All Data Structures Namespaces Files Functions Variables Typedefs Enumerations Enumerator Properties Friends Macros Groups Pages
nonstandard.hh
Go to the documentation of this file.
1 //------------------------------------------------------------------------------
2 // This file is part of the OpenStructure project <www.openstructure.org>
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
7 // the terms of the GNU Lesser General Public License as published by the Free
8 // Software Foundation; either version 3.0 of the License, or (at your option)
9 // any later version.
10 // This library is distributed in the hope that it will be useful, but WITHOUT
11 // ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
12 // FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more
13 // details.
14 //
15 // You should have received a copy of the GNU Lesser General Public License
16 // along with this library; if not, write to the Free Software Foundation, Inc.,
17 // 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA
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);
57 
64 
65 
66 
70  bool& has_cbeta,
72 
79 
80 
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
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
#define DLLEXPORT_OST_MOL_ALG
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 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 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
boost::shared_ptr< CompoundLib > CompoundLibPtr
Definition: compound_lib.hh:32
external coordinate system editor
Definition: xcs_editor.hh:36
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.
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