stage/include/ost/mol/alg/construct_cbeta.hh
Go to the documentation of this file.00001 //------------------------------------------------------------------------------ 00002 // This file is part of the OpenStructure project <www.openstructure.org> 00003 // 00004 // Copyright (C) 2008-2011 by the OpenStructure authors 00005 // 00006 // This library is free software; you can redistribute it and/or modify it under 00007 // the terms of the GNU Lesser General Public License as published by the Free 00008 // Software Foundation; either version 3.0 of the License, or (at your option) 00009 // any later version. 00010 // This library is distributed in the hope that it will be useful, but WITHOUT 00011 // ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS 00012 // FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more 00013 // details. 00014 // 00015 // You should have received a copy of the GNU Lesser General Public License 00016 // along with this library; if not, write to the Free Software Foundation, Inc., 00017 // 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA 00018 //------------------------------------------------------------------------------ 00019 #ifndef OST_MOL_ALG_CONSTRUCT_CBETA_HH 00020 #define OST_MOL_ALG_CONSTRUCT_CBETA_HH 00021 00022 #include <ost/mol/entity_view.hh> 00023 #include <ost/mol/alg/module_config.hh> 00024 00025 namespace ost { namespace mol { namespace alg { 00026 00027 00028 geom::Vec3 DLLEXPORT_OST_MOL_ALG CBetaPosition(const ResidueHandle& residue, 00029 Real bond_length=1.5); 00030 00031 geom::Vec3 DLLEXPORT_OST_MOL_ALG CBetaPosition(const geom::Vec3& n_pos, 00032 const geom::Vec3& ca_pos, 00033 const geom::Vec3& c_pos, 00034 Real bond_length=1.5); 00035 00036 void DLLEXPORT_OST_MOL_ALG ConstructCBetas(EntityHandle& entity_handle, 00037 bool include_gly=false); 00038 00039 00040 }}} // ns 00041 00042 #endif // OST_MOL_ALG_CONSTRUCT_CBETA_HH
