malloc optimisation

src/INTBuilder.c

@@ -543,6 +543,7 @@ int main(int argc, char** argv){
             writePDB(newPDB, ligand,target_conf);
         }
         freePDB(newPDB);
+        newPDB = NULL;
     }else if(complexPDB){    /* If we are building for a given complex, no rotation */
 
         /* Write the number of the conformation and get the interface */
@@ -570,9 +571,9 @@ int main(int argc, char** argv){
             /* This is the rotated PDB
              * pdbL doesn't change throughout the program
              */
-            newPDB = rotate_sophie(pdbL,pdbR,NULL,dock_res->distCenters[i],
-                                dock_res->theta[i],dock_res->phi[i],
-                                dalpha,dbeta,dgamma,dock_res,i);
+            newPDB = rotate_sophie(pdbL, pdbR, newPDB, dock_res->distCenters[i],
+                                dock_res->theta[i], dock_res->phi[i],
+                                dalpha, dbeta, dgamma, dock_res, i);
 
             /* Write the number of the conformation and get the interface */
             fprintf(outputFile_lig,"%d ",i);
@@ -584,8 +585,9 @@ int main(int argc, char** argv){
             if(constructPDB){
                 writePDB(newPDB, ligand,i);
             }
-            freePDB(newPDB);
         }
+        freePDB(newPDB);
+        newPDB = NULL;
     }
 
     freePDB(pdbL);

src/allocate.c

@@ -6,7 +6,9 @@
 void freePDB(struct pdb_values* pdb){
     free(pdb->residues);
     free(pdb);
-    pdb = NULL;
+    pdb = NULL; /* Has not effect since the adress passed as argument 
+                 * won't change
+                 */
 }