On 5/17/2011 9:47 AM lina said...
A further question: I don't know how can I get the final output is unique?
That'll require some rework. The mapping container replaces
mapping[parts[0]] each time it encounters another parts[0].
You can test if you are about to add a new entry or replace
an existing one with "if parts[0] in mapping:" if that helps.
Emile
#!/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<lina.lastn...@gmail.com> wrote:
Thanks, it works.
On Tue, May 17, 2011 at 11:53 PM, Emile van Sebille<em...@fenx.com> 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
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