Bug : fixed !

src/INTBuilder.c

@@ -162,6 +162,9 @@ void getInterface(struct pdb_values* pdbR, struct pdb_values* pdbL){
             y1 = t_candidateR[i]->y[j];
             z1 = t_candidateR[i]->z[j];
             for(k=0;k<nbCandL;k++){
+                if(t_candidateL[k]->isCandidate == 1 && t_candidateR[i]->isCandidate == 1){
+                    continue;
+                }
                 for(l=0;l<t_candidateL[k]->nbAtom;l++){
                     x2 = t_candidateL[k]->x[l];
                     y2 = t_candidateL[k]->y[l];
@@ -174,17 +177,17 @@ void getInterface(struct pdb_values* pdbR, struct pdb_values* pdbL){
                         break;
                     }
                 }
-                if(t_candidateR[i]->isCandidate == 1)
-                    break;
             }
-            if(t_candidateR[i]->isCandidate == 1)
-                break;
         }
     }
 
     for(i=0;i<nbCandL;i++){
-        if(t_candidateL[i]->isCandidate == 1)
+        if(t_candidateL[i]->isCandidate == 1){
             fprintf(outputFile_lig,"'%s' '%c' ",strtok(t_candidateL[i]->idRes," "),t_candidateL[i]->chain);
+            fflush(outputFile_lig);
+        }else{
+        
+        }
     }
     for(i=0;i<nbCandR;i++){
         if(t_candidateR[i]->isCandidate == 1)
@@ -560,6 +563,8 @@ int main(int argc, char** argv){
                             dalpha,dbeta,dgamma,dock_res,target_conf);
 
         getInterface(pdbR,newPDB);
+        fprintf(outputFile_lig,"\n");
+        fprintf(outputFile_rec,"\n");
 
         if(constructPDB){
             writePDB(newPDB, ligand,target_conf);