great, thank you again^^
But there is still one problem left.
import pybel
for mol in pybel.readfile("mol2", "-output1.mol2"): # I will have plenty of
"outputX.mol2" files
filename = mol.OBMol.GetTitle()
filename = filename + ".mol2"
output = open(filename,"w") # erase existing file, if any
output.write(mol.write("mol2"))
output.close()
I know that it will be done with some kind of loop, but i have no idea how
to programm it.
Best
Cy
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