A further question: I don't know how can I get the final output is unique?
#!/bin/python
mapping={}
for line in open("confout.pdb").readlines():
parts=line.strip().split()
if len(parts)>6:
mapping[parts[1]]=parts[4]+parts[3]
origs=open("dummy.atomID").read().split()
print " ".join([mapping[orig] for orig in origs])
Thanks again,
On Wed, May 18, 2011 at 12:36 AM, lina <[email protected]> wrote:
> Thanks, it works.
>
> On Tue, May 17, 2011 at 11:53 PM, Emile van Sebille <[email protected]> wrote:
>> On 5/17/2011 8:31 AM lina said...
>>>
>>> Following Michiel's code (a little adjustment was done):
>>>
>>
>> Well. you're almost there. The error you're getting
>> is likely due to splitting an empty line, then referencing
>> the [1] and [4] elements.
>>
>> After you split the line into parts, test to confirm
>> that the fields you need are there:
>>
>>> #!/bin/python
>>>
>>> mapping={}
>>> for line in open("confout.pdb").readlines():
>>> parts=line.strip().split()
>>
>> if len(parts)>3:
>>
>>> mapping[parts[1]]=parts[4]
>>
>> also, note that python indexes from zero, so this should be
>> mapping[parts[0]]=parts[3]
>>
>>> origs=open("dummy.atomID").read().split()
>>> print " ".join([mapping[orig] for orig in origs])
>>
>>
>> Emile
>>
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>
>
>
> --
> Best Regards,
>
> lina
>
--
Best Regards,
lina
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