Commit 15a24aee by Chloe Dequeker

Modif makefile to put exec in current directory

parent 1e546371
...@@ -9,7 +9,7 @@ BINARY=INTBuilder ...@@ -9,7 +9,7 @@ BINARY=INTBuilder
all: $(BINARY) all: $(BINARY)
$(BINARY): $(SRC_DIR)/$(OBJECTS) $(BINARY): $(SRC_DIR)/$(OBJECTS)
cd $(SRC_DIR) && $(CC) $(OBJECTS) -o $@ $(LDFLAGS) cd $(SRC_DIR) && $(CC) $(OBJECTS) -o ../$@ $(LDFLAGS)
%.o: $(SRC_DIR)/%.c %.o: $(SRC_DIR)/%.c
$(CC) $(CFLAGS) $< -o $(SRC_DIR)/$@ $(CC) $(CFLAGS) $< -o $(SRC_DIR)/$@
......
...@@ -454,11 +454,9 @@ int main(int argc, char** argv){ ...@@ -454,11 +454,9 @@ int main(int argc, char** argv){
pdbR = readPDB(receptor); pdbR = readPDB(receptor);
pdbL = readPDB(ligand); pdbL = readPDB(ligand);
if(target_conf > 0){
getAnglesFromCA1andCA5_sophie(pdbL,&alpha,&beta,&gamma); getAnglesFromCA1andCA5_sophie(pdbL,&alpha,&beta,&gamma);
if(target_conf > 0){
dalpha = dock_res->alpha[target_conf] - alpha; dalpha = dock_res->alpha[target_conf] - alpha;
dbeta = dock_res->beta[target_conf] - beta; dbeta = dock_res->beta[target_conf] - beta;
dgamma = dock_res->gamma[target_conf] - gamma; dgamma = dock_res->gamma[target_conf] - gamma;
...@@ -476,8 +474,6 @@ int main(int argc, char** argv){ ...@@ -476,8 +474,6 @@ int main(int argc, char** argv){
}else{ }else{
for(i=0;i<dock_res->nbConf;i++){ for(i=0;i<dock_res->nbConf;i++){
// For all conformations // For all conformations
getAnglesFromCA1andCA5_sophie(pdbL,&alpha,&beta,&gamma);
dalpha = dock_res->alpha[i] - alpha; dalpha = dock_res->alpha[i] - alpha;
dbeta = dock_res->beta[i] - beta; dbeta = dock_res->beta[i] - beta;
dgamma = dock_res->gamma[i] - gamma; dgamma = dock_res->gamma[i] - gamma;
......
...@@ -32,8 +32,8 @@ struct pdb_values* rotate_sophie(struct pdb_values* pdb, struct pdb_values* pdbR ...@@ -32,8 +32,8 @@ struct pdb_values* rotate_sophie(struct pdb_values* pdb, struct pdb_values* pdbR
if(newPDB == NULL){ if(newPDB == NULL){
newPDB = allocate_pdb(pdb->nbRes); newPDB = allocate_pdb(pdb->nbRes);
newPDB->nbAtom = pdb->nbAtom; newPDB->nbAtom = pdb->nbAtom;
memcpy(newPDB->residues,pdb->residues,pdb->nbRes*sizeof(struct residue));
} }
memcpy(newPDB->residues,pdb->residues,pdb->nbRes*sizeof(struct residue));
float newX = pdbR->centerX + R*sin(theta)*cos(phi); float newX = pdbR->centerX + R*sin(theta)*cos(phi);
...@@ -80,6 +80,10 @@ struct pdb_values* rotate_sophie(struct pdb_values* pdb, struct pdb_values* pdbR ...@@ -80,6 +80,10 @@ struct pdb_values* rotate_sophie(struct pdb_values* pdb, struct pdb_values* pdbR
newPDB->yCA1 = (newPDB->yCA1 - pdb->centerY) + newY; newPDB->yCA1 = (newPDB->yCA1 - pdb->centerY) + newY;
newPDB->zCA1 = (newPDB->zCA1 - pdb->centerZ) + newZ; newPDB->zCA1 = (newPDB->zCA1 - pdb->centerZ) + newZ;
newPDB->xCA5 = (newPDB->xCA5 - pdb->centerX) + newX;
newPDB->yCA5 = (newPDB->yCA5 - pdb->centerY) + newY;
newPDB->zCA5 = (newPDB->zCA5 - pdb->centerZ) + newZ;
newPDB->centerX = newX; newPDB->centerX = newX;
newPDB->centerY = newY; newPDB->centerY = newY;
newPDB->centerZ = newZ; newPDB->centerZ = newZ;
......
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