import tool
from string import lower
import retrieveAtom
import writePDBfile
repData = repertory.datasetSerineProtease()
listRep = listdir(repData)
# for rep in listRep :
# rep = repData + rep + "/"
# managePDB.appendExtention(rep)
###to do fonction that retrieve ligands in pdb files#######
ligandWithPDB = loadFile.resultLigandPDB(repertory.resultSerineProtease() + "resultLigandInPDB")
listLigand = ligandWithPDB.keys()
print listLigand
nbLigand = len(listLigand)
print nbLigand
j = 0
while j < nbLigand :
ligand = listLigand[j]
print ligand , j
pdb = ligandWithPDB[ligand][0].split("_")[2]
pdb = lower(pdb)
atomLigand = loadFile.ligandInPDBConnectMatrixLigand(pdb, ligand)
writePDBfile.globalStruct(ligand + "_" + pdb + ".pdb", atomLigand)
nbAtom = len(atomLigand)
import searchPDB
import loadFile
import repertory
import tool
searchPDB.ligands()
listLigandInPDB = loadFile.resultLigandPDB(repertory.result() + "resultLigandInPDB")
listLigand = listLigandInPDB.keys()
nbLigand = len(listLigand)
listLigandWithRibose = []
i = 0
while i < nbLigand :
print listLigand[i], i
ligandID = listLigand[i]
listAtomLigand = loadFile.ligandInPDB(listLigandInPDB[ligandID][0], ligandID)
if searchPDB.riboseFromADPRibose(listAtomLigand) == 1 :
listLigandWithRibose.append(listLigand[i])
i = i + 1
fileResultRibose = open(repertory.result() + "riboseList", "w")
print len(listLigandWithRibose)
for ligand in listLigandWithRibose :
fileResultRibose.write(ligand + "\n")
fileResultRibose.close()
