Hi,
Given a directory that your files are in, called "input_dir" the
following should start an iteration over all files called
output<something>.mol2.
filtered_files = filter(lambda x:
(os.path.basename(x).lower().startswith("output") and
(os.path.splitext(x)[1].lower() == ".mol2")), os.listdir(input_dir))
for file in filtered_files:
Hope that helps,
Toby Wright
--
InhibOx
On 4 January 2012 12:38, Noel O'Boyle <baoille...@gmail.com> wrote:
> If I understand correctly, then something like...
>
> import pybel
> for i in range(1,100):
> inputfile = "output%d.mol2" % i
> mol = pybel.readfile("mol2", inputfile).next()
> mol.write("mol2", mol.title + ".mol2", overwrite=True)
>
> On 4 January 2012 12:27, Cyberbroker1 <rene.buett...@rwth-aachen.de> wrote:
>> 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
>>
>> --
>> View this message in context:
>> http://forums.openbabel.org/one-input-file-multiple-output-files-tp4254723p4261039.html
>> Sent from the General discussion mailing list archive at Nabble.com.
>>
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