Commit e2059e19 by Chloe Dequeker

add num of conf in output file

parent 25976963
......@@ -172,11 +172,11 @@ void getInterface(struct pdb_values* pdbR, struct pdb_values* pdbL, int numConf)
for(i=0;i<nbCandL;i++){
if(t_candidateL[i]->isCandidate == 1)
fprintf(outputFile_lig,"%s %s %c\n",t_candidateL[i]->resName,t_candidateL[i]->idRes,t_candidateL[i]->chain);
fprintf(outputFile_lig,"%s %s %c ",t_candidateL[i]->resName,t_candidateL[i]->idRes,t_candidateL[i]->chain);
}
for(i=0;i<nbCandR;i++){
if(t_candidateR[i]->isCandidate == 1)
fprintf(outputFile_rec,"%s %s %c\n",t_candidateR[i]->resName,t_candidateR[i]->idRes,t_candidateR[i]->chain);
fprintf(outputFile_rec,"%s %s %c ",t_candidateR[i]->resName,t_candidateR[i]->idRes,t_candidateR[i]->chain);
}
......@@ -473,7 +473,11 @@ int main(int argc, char** argv){
dock_res->theta[i],dock_res->phi[i],
dalpha,dbeta,dgamma,dock_res,i);
fprintf(outputFile_lig,"%d ",i);
fprintf(outputFile_rec,"%d ",i);
getInterface(pdbR,newPDB,i);
fprintf(outputFile_lig,"\n");
fprintf(outputFile_rec,"\n");
if(constructPDB){
writePDB(newPDB, ligand);
......
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