Re^2: incrementing already existing file

<MYFILE> has columns similar to this. I want to save column # and last column value when I open this file.I tried to save in sub-strings

IN CHAIN A RESIDUE   1 HAS ENERGY 28.8216
 IN CHAIN A RESIDUE   2 HAS ENERGY 24.9274
 IN CHAIN A RESIDUE   3 HAS ENERGY 19.0884
 IN CHAIN A RESIDUE   4 HAS ENERGY -27.6978
 IN CHAIN A RESIDUE   5 HAS ENERGY 34.8558
 IN CHAIN A RESIDUE   6 HAS ENERGY 17.9725
 IN CHAIN A RESIDUE   7 HAS ENERGY 29.0379
 IN CHAIN A RESIDUE   8 HAS ENERGY 13.7192
 IN CHAIN A RESIDUE   9 HAS ENERGY 15.3481
 IN CHAIN A RESIDUE  10 HAS ENERGY -7.55393
 IN CHAIN A RESIDUE  11 HAS ENERGY -5.87837
 IN CHAIN A RESIDUE  12 HAS ENERGY 40.7543
 IN CHAIN A RESIDUE  13 HAS ENERGY -11.5488
 IN CHAIN A RESIDUE  14 HAS ENERGY -11.7673



<NEWF> has columns similar to this. I want to save column # and compar
+e it with previous MYFILE vale.
When they match I want to print the valve that I stored in previous fi
+le in place of last but one column (bold column) 

ATOM      1  N     MET       1       4.440  25.987 -14.585  1.00  0.00
+      A   
ATOM      2  HT1 MET       1       4.524  25.860 -15.614  1.00  0.00  
+    A   
ATOM      3  HT2 MET       1       4.109  26.952 -14.383  1.00  0.00  
+    A   
ATOM      4  HT3 MET       1        3.729  25.316 -14.228  1.00  0.00 
+    A   
ATOM      5  CA   MET       1       5.708  25.747 -13.831  1.00  0.00 
+     A   
ATOM      6  HA   MET       1       6.008  24.725 -14.011  1.00  0.00 
+     A   
ATOM      7  CB   MET       1       6.792  26.728 -14.367  1.00  0.00 
+     A   
ATOM      8  HB1 MET       1       6.812  26.659 -15.475  1.00  0.00  
+    A   
ATOM      9  HB2 MET       1       6.502  27.769 -14.109  1.00  0.00  
+    A   
ATOM     10  CG  MET       1       8.241  26.517 -13.880  1.00  0.00  
+    A   
ATOM     11  HG1 MET      1       8.298  26.709 -12.787  1.00  0.00   
+   A   
ATOM     12  HG2 MET      1       8.547  25.462 -14.049  1.00  0.00   
+   A   
ATOM     20  N   ALA         2       6.330  25.384 -11.469  1.00  0.00
+      A   
ATOM     21  HN  ALA       2       7.105  24.825 -11.751  1.00  0.00  
+    A   
ATOM     22  CA  ALA       2       6.383  25.717 -10.067  1.00  0.00  
+    A   
ATOM     23  HA  ALA       2       6.344  26.791  -9.955  1.00  0.00  
+    A   
ATOM     24  CB  ALA       2       5.300  25.034  -9.205  1.00  0.00  
+    A   
ATOM     25  HB1 ALA     2       4.288  25.319  -9.565  1.00  0.00    
+  A   
ATOM     26  HB2 ALA     2       5.394  23.928  -9.255  1.00  0.00    
+  A   
ATOM     27  HB3 ALA     2       5.396  25.346  -8.143  1.00  0.00    
+  A   
ATOM     28  C   ALA        2       7.753  25.238  -9.659  1.00  0.00 
+     A   
ATOM     29  O   ALA        2       8.299  24.357 -10.317  1.00  0.00 
+     A   
ATOM     30  N   THR        3       8.353  25.813  -8.605  1.00 86.23 
+     A   
ATOM     31  HN  THR      3       7.908  26.533  -8.079  1.00  0.00   
+   A   
ATOM     32  CA  THR      3       9.687  25.408  -8.176  1.00 88.87   
+   A   
ATOM     33  HA  THR      3       9.829  24.356  -8.373  1.00  0.00   
+   A   
ATOM     34  CB  THR      3      10.847  26.194  -8.810  1.00 91.62   
+   A   
ATOM     35  HB  THR      3      11.790  25.982  -8.261  1.00  0.00   
+   A
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Comment on Re^2: incrementing already existing file Download Code

Replies are listed 'Best First'.
Re^3: incrementing already existing file by broomduster (Priest) on Feb 28, 2011 at 01:06 UTC
OK so far, I think. But you need to be a bit clearer. When you say "column #" what do you mean exactly? Given the first few lines of each file (say five lines), what should the output look like? Not just a description, but please show the actual output you want to create.	[reply]
Re^3: incrementing already existing file by umasuresh (Hermit) on Feb 28, 2011 at 13:55 UTC
It looks like you are trying to add energy value of each residue in one file to a PDB file, is this what you are trying to accomplish?	[reply]
Re^4: incrementing already existing file by wanttoprogram (Novice) on Feb 28, 2011 at 22:58 UTC
That's right	[reply]


Think about Loose Coupling
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