export PATH=${PATH}:/home/preps/golovin/progs/bin
for i in h oh n ph ;do
obgen ${i}.smi > ${i}.mol
babel -imol ${i}.mol -opdb ${i}.pdb 
/home/preps/golovin/progs/bin/prepare_ligand4.py -l ${i}.pdb -o ${i}.pdbqt
vina --config vina.cfg --receptor prot.pdbqt --ligand ${i}.pdbqt --out ${i}_prot.pdbqt --log ${i}_prot.log
vina --config vina.cfg --receptor prot_rigid.pdbqt --flex prot_flex.pdbqt --ligand ${i}.pdbqt --out ${i}_prot_flex.pdbqt --log ${i}_prot_flex.log
done