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nonstandard.hh
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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"
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30namespace ost { namespace mol { namespace alg {
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56 bool& has_cbeta);
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70 bool& has_cbeta,
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85 bool& has_cbeta);
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97 bool& has_cbeta);
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104 bool& has_cbeta);
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112 bool& has_cbeta,
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117}}}
118
119#endif
external coordinate system editor
Definition xcs_editor.hh:36
#define DLLEXPORT_OST_MOL_ALG
boost::shared_ptr< CompoundLib > CompoundLibPtr
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 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 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
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 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
Definition base.dox:1