00001 00002 /* 00003 COPYRIGHT DISCLAIMER 00004 00005 Vincent Le Guilloux, Peter Schmidtke and Pierre Tuffery, hereby 00006 disclaim all copyright interest in the program “fpocket” (which 00007 performs protein cavity detection) written by Vincent Le Guilloux and Peter 00008 Schmidtke. 00009 00010 Vincent Le Guilloux 28 November 2008 00011 Peter Schmidtke 28 November 2008 00012 Pierre Tuffery 28 November 2008 00013 00014 GNU GPL 00015 00016 This file is part of the fpocket package. 00017 00018 fpocket is free software: you can redistribute it and/or modify 00019 it under the terms of the GNU General Public License as published by 00020 the Free Software Foundation, either version 3 of the License, or 00021 (at your option) any later version. 00022 00023 fpocket is distributed in the hope that it will be useful, 00024 but WITHOUT ANY WARRANTY; without even the implied warranty of 00025 MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the 00026 GNU General Public License for more details. 00027 00028 You should have received a copy of the GNU General Public License 00029 along with fpocket. If not, see <http://www.gnu.org/licenses/>. 00030 00031 */ 00032 00033 #ifndef DH_CLUSTER 00034 #define DH_CLUSTER 00035 00036 /* ------------------------------INCLUDES-------------------------------------*/ 00037 00038 #include <math.h> 00039 #include <stdio.h> 00040 #include <stdlib.h> 00041 00042 #include "voronoi.h" 00043 #include "calc.h" 00044 #include "pocket.h" 00045 /* ------------------------------STRUCTURES-------------------------------------*/ 00046 00047 typedef struct s_sorted_pocket_list 00048 { 00049 int pid1; 00050 int pid2; 00051 float dist; 00052 } s_sorted_pocket_list ; 00053 00054 /* ------------------------------PROTOTYPES---------------------------------- */ 00055 00056 void pck_ml_clust(c_lst_pockets *pockets, s_fparams *params); 00057 int comp_pocket(const void *el1, const void *el2); 00058 void pck_final_clust(c_lst_pockets *pockets, s_fparams *params,s_pdb *pdb,s_pdb *pdb_w_lig); 00059 #endif
1.5.6