00001 /* 00002 LoopTK: Protein Loop Kinematic Toolkit 00003 Copyright (C) 2007 Stanford University 00004 00005 This program is free software; you can redistribute it and/or modify 00006 it under the terms of the GNU General Public License as published by 00007 the Free Software Foundation; either version 2 of the License, or 00008 (at your option) any later version. 00009 00010 This program is distributed in the hope that it will be useful, 00011 but WITHOUT ANY WARRANTY; without even the implied warranty of 00012 MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the 00013 GNU General Public License for more details. 00014 00015 You should have received a copy of the GNU General Public License along 00016 with this program; if not, write to the Free Software Foundation, Inc., 00017 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. 00018 */ 00019 00020 #ifndef __P_RESIDUE_SPEC_H 00021 #define __P_RESIDUE_SPEC_H 00022 00023 #include "PAtomPositionsSpec.h" 00024 #include "PHashing.h" 00025 00031 class PResidueSpec { 00032 public: 00033 PAtomPositionsSpec Atom_Positions; 00034 HASH_MAP_STR(Real) Atom_Occ; 00035 HASH_MAP_STR(Real) Atom_Temp; 00036 int pdb_id; 00037 }; 00038 00039 #endif // __P_RESIDUE_SPEC_H