Commit 0595cb3c by Chloe Dequeker

limiting output on stdout

parent 15a24aee
File added
ASN 163 D
ILE 166 D
ASN 167 D
LYS 170 D
LYS 171 D
PRO 176 D
ASP 177 D
GLU 178 D
PHE 179 D
PRO 180 D
VAL 181 D
PHE 183 D
ARG 206 D
TYR 207 D
PHE 208 D
THR 209 D
LEU 210 D
LYS 211 D
SER 212 D
MET 213 D
ASP 214 D
ASP 215 D
LYS 216 D
VAL 217 D
VAL 218 D
GLY 219 D
SER 220 D
ASN 221 D
LYS 222 D
LYS 223 D
SER 245 D
GLY 248 D
VAL 249 D
GLY 250 D
TYR 251 D
GLN 278 D
GLU 279 D
GLU 280 D
MET 281 D
LYS 282 D
ASP 283 D
ALA 284 D
PRO 285 D
ASN 286 D
ALA 287 D
LEU 288 D
THR 308 D
TRP 309 D
LYS 310 D
HIS 311 D
GLU 312 D
SER 333 D
ILE 335 D
SER 336 D
GLY 337 D
GLN 338 D
PRO 339 D
SER 159 A
THR 160 A
ASN 188 A
GLN 189 A
ALA 198 A
LYS 156 C
GLY 158 C
SER 159 C
THR 160 C
TYR 161 C
ASN 188 C
THR 192 C
GLN 197 C
ALA 198 C
SER 159 E
ASN 188 E
THR 192 E
ALA 198 E
No preview for this file type
......@@ -130,7 +130,7 @@ void getInterface(struct pdb_values* pdbR, struct pdb_values* pdbL){
getCandidatesForP1(pdbR,t_candidateL,t_candidateR,&nbCandL,&nbCandR);
getCandidatesForP1(pdbL,t_candidateR,t_candidateL,&nbCandR,&nbCandL);
}
printf("NB_ITER %d\n",k);
//printf("NB_ITER %d\n",k);
for(i=0;i<nbCandR;i++){
t_candidateR[i]->isCandidate = 0;
......@@ -181,7 +181,6 @@ void getInterface(struct pdb_values* pdbR, struct pdb_values* pdbL){
fprintf(ligOut,"%s %s %c\n",t_candidateL[i]->resName,t_candidateL[i]->idRes,t_candidateL[i]->chain);
}
fclose(ligOut);
printf("-------------------\n");
sprintf(buf,"%s/%s_inter.txt",outputDir,receptor);
recOut = fopen(buf,"w");
for(i=0;i<nbCandR;i++){
......@@ -474,6 +473,8 @@ int main(int argc, char** argv){
}else{
for(i=0;i<dock_res->nbConf;i++){
// For all conformations
if(i%10 == 0)
printf("Computing pose %d ...\n",i);
dalpha = dock_res->alpha[i] - alpha;
dbeta = dock_res->beta[i] - beta;
dgamma = dock_res->gamma[i] - gamma;
......
Markdown is supported
0% or
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment