00001 00002 00003 #include "../headers/mdpmain.h" 00004 00005 /* 00006 00007 ## -- GENERAL INFORMATION 00008 ## 00009 ## FILE mdpmain.c 00010 ## AUTHORS P. Schmidtke and V. Le Guilloux 00011 ## LAST MODIFIED 28-11-08 00012 ## 00013 ## -- SPECIFICATIONS 00014 ## 00015 ## Top function to call dpocket routines. Get programm parameters, 00016 ## call function and free memory. 00017 ## 00018 ## -- MODIFICATIONS HISTORY 00019 ## 00020 ## 28-11-08 (v) Added COPYRIGHT DISCLAMER 00021 ## 01-04-08 (v) Added comments and creation of history 00022 ## 01-01-08 (vp) Created (random date...) 00023 ## 00024 ## -- TODO or SUGGESTIONS 00025 ## 00026 00027 */ 00028 00029 /* 00030 COPYRIGHT DISCLAIMER 00031 00032 Vincent Le Guilloux, Peter Schmidtke and Pierre Tuffery, hereby 00033 disclaim all copyright interest in the program “fpocket” (which 00034 performs protein cavity detection) written by Vincent Le Guilloux and Peter 00035 Schmidtke. 00036 00037 Vincent Le Guilloux 28 November 2008 00038 Peter Schmidtke 28 November 2008 00039 Pierre Tuffery 28 November 2008 00040 00041 GNU GPL 00042 00043 This file is part of the fpocket package. 00044 00045 fpocket is free software: you can redistribute it and/or modify 00046 it under the terms of the GNU General Public License as published by 00047 the Free Software Foundation, either version 3 of the License, or 00048 (at your option) any later version. 00049 00050 fpocket is distributed in the hope that it will be useful, 00051 but WITHOUT ANY WARRANTY; without even the implied warranty of 00052 MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the 00053 GNU General Public License for more details. 00054 00055 You should have received a copy of the GNU General Public License 00056 along with fpocket. If not, see <http://www.gnu.org/licenses/>. 00057 00058 **/ 00059 00060 /** 00061 ## FUNCTION: 00062 int main(int argc, char *argv[]) 00063 00064 ## SPECIFICATION: 00065 Main program for dpocket! 00066 00067 */ 00068 int main(int argc, char *argv[]) 00069 { 00070 s_mdparams *par = get_mdpocket_args(argc, argv) ; 00071 print_mdparams(par, stdout) ; 00072 if(par && par->fwantedpocket[0]==0) mdpocket_detect(par) ; /* run only pocket detection, 1st way of running mdpocket*/ 00073 else if(par) mdpocket_characterize(par); /* run pocket characterization 2nd way of running mdpocket*/ 00074 free_mdparams(par) ; 00075 free_all() ; 00076 00077 return 0 ; 00078 } 00079
1.5.6