Commit 2cf53283 by Chloe Dequeker

add .h to INTBuilder

parent e2059e19
...@@ -7,6 +7,7 @@ ...@@ -7,6 +7,7 @@
#include "allocate.h" #include "allocate.h"
#include "rotation.h" #include "rotation.h"
#include "param.h" #include "param.h"
#include "INTBuilder.h"
...@@ -402,6 +403,21 @@ struct pdb_values* readPDB(char* protein) { ...@@ -402,6 +403,21 @@ struct pdb_values* readPDB(char* protein) {
return pdb_prot; return pdb_prot;
} }
void removeSpace(char* string){
char* i = string;
char* j = string;
if(*j != '\0'){
while(*j != 0){
*i = *j++;
if(*i != ' '){
i++;
}
}
*i = 0;
}
}
void writePDB(struct pdb_values* pdb, char* protName){ void writePDB(struct pdb_values* pdb, char* protName){
int i = 0, j = 0; int i = 0, j = 0;
char buf[500]; char buf[500];
...@@ -463,7 +479,7 @@ int main(int argc, char** argv){ ...@@ -463,7 +479,7 @@ int main(int argc, char** argv){
} }
freePDB(newPDB); freePDB(newPDB);
}else{ }else{
for(i=0;i<dock_res->nbConf;i++){ for(i=1;i<dock_res->nbConf;i++){
// For all conformations // For all conformations
dalpha = dock_res->alpha[i] - alpha; dalpha = dock_res->alpha[i] - alpha;
dbeta = dock_res->beta[i] - beta; dbeta = dock_res->beta[i] - beta;
......
#ifndef INTB_HEADER
#define INTB_HEADER
void getCandidatesForP1(struct pdb_values* pdb2, struct residue** t_candid1, struct residue** t_candid2, int* nbCand1, int* nbCand2);
void getInterface(struct pdb_values* pdbR, struct pdb_values* pdbL, int numConf);
struct docking_results* getDataForComplex();
struct pdb_values* readPDB(char* protein) ;
void removeSpace(char* string);
void writePDB(struct pdb_values* pdb, char* protName);
int main(int argc, char** argv);
#endif
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