On 27/09/11 14:45, lina wrote:
Hi,
I have file 1: cur.itp
1 CH3 1 CUR C1 1 0.066 15.0350
2 OA 1 CUR O1 1 -0.183 15.9994
3 C 1 CUR C2 1 0.126 12.0110
and file 2: procesed.pdb
ATOM 1 H52 CUR 1 33.502 30.958 -9.831 -0.71
-0.23 H
ATOM 2 H32 CUR 1 34.440 28.421 -3.916 0.00
0.09 H
ATOM 3 H22 CUR 1 31.110 22.839 1.886 -0.18
0.12 H
While it's good to show us sample data please keep it to the minimum
needed to illustrate the point.
Now I wish the file 2 filed 3 output as the order of the file 1 field 2,
namely will be,
ATOM 10 C21 CUR 1 30.599 28.677 -10.410 -0.06
-0.05 C
ATOM 11 O4 CUR 1 30.948 29.625 -9.382 -0.04
0.04 O
Sorry, I have no idea what you mean by that.
Can you explain again in more detail please?
hope someone can give me some advice,
We probably can once we understand what you are trying to do.
Or maybe its just me being slow...
origs=open("processedpdb").read().split()
print " ".join([mapping[orig] for orig in origs])
the last sentence I even don't know what I am doing. sorry.
That makes two of us!
--
Alan G
Author of the Learn to Program web site
http://www.alan-g.me.uk/
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