comment on

Sorry about not being clear. I could not figure out. Thank you.

My MYFILE looks like: It has two sets of values. Column 3 has A and B

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 B RESIDUE   1 HAS ENERGY 29.2508
IN CHAIN B RESIDUE   2 HAS ENERGY 28.0677
IN CHAIN B RESIDUE   3 HAS ENERGY 18.4152


My NEWF looks like:  It has two sets of values. Last column has A and 
+B

ATOM      1  N   MET     1       4.751  25.841 -14.267  1.00  0.00    
+  A   
ATOM      2  HT1 MET     1       4.805  25.474 -15.239  1.00  0.00    
+  A   
ATOM      3  HT2 MET     1       4.342  26.797 -14.278  1.00  0.00    
+  A   
ATOM     21  HN  ALA     2       7.312  24.620 -11.539  1.00  0.00    
+  A   
ATOM     22  CA  ALA     2       6.858  25.683  -9.839  1.00  0.00    
+  A   
ATOM     23  HA  ALA     2       6.844  26.753  -9.694  1.00  0.00    
+  A   
ATOM     24  CB  ALA     2       5.754  24.998  -9.007  1.00  0.00    
+  A   
ATOM     36  OG1 THR     3      11.141  27.554  -8.457  1.00 93.20    
+  A   
ATOM     37  HG1 THR     3      10.623  27.711  -9.249  1.00  0.00    
+  A   
ATOM     38  CG2 THR     3      11.584  25.728  -9.911  1.00 91.24    
+  A   
ATOM     39 HG21 THR     3      12.484  26.243 -10.310  1.00  0.00    
+  A 
  
ATOM   8104  N   MET     1      -6.496 -26.244 -13.291  1.00  0.00    
+  B   
ATOM   8105  HT1 MET     1      -6.452 -26.200 -14.329  1.00  0.00    
+  B   
ATOM   8106  HT2 MET     1      -5.949 -27.077 -12.992  1.00  0.00    
+  B   
ATOM   8123  N   ALA     2      -8.788 -26.130 -10.521  1.00  0.00    
+  B   
ATOM   8124  HN  ALA     2      -9.227 -25.264 -10.749  1.00  0.00    
+  B   
ATOM   8125  CA  ALA     2      -9.147 -26.653  -9.220  1.00  0.00    
+  B   
ATOM   8126  HA  ALA     2      -9.475 -27.676  -9.335  1.00  0.00    
+  B   
ATOM   8127  CB  ALA     2      -7.979 -26.598  -8.218  1.00  0.00    
+  B   
ATOM   8133  N   THR     3     -11.093 -26.367  -7.736  1.00 86.23    
+  B   
ATOM   8134  HN  THR     3     -10.807 -27.207  -7.281  1.00  0.00    
+  B   
ATOM   8135  CA  THR     3     -12.402 -25.826  -7.360  1.00 88.87    
+  B   
ATOM   8136  HA  THR     3     -12.432 -24.774  -7.602  1.00  0.00    
+  B   


The last column values of MYFILE should be copied and repeated in last
+ but one column of my output. The two sets must be repeated.
My output looks like:

ATOM      1  N   MET     1       4.751  25.841 -14.267  1.00 28.8216  
+  A   
ATOM      2  HT1 MET     1       4.805  25.474 -15.239  1.00 28.8216  
+  A   
ATOM      3  HT2 MET     1       4.342  26.797 -14.278  1.00 28.8216  
+  A   
ATOM     21  HN  ALA     2       7.312  24.620 -11.539  1.00 24.9274  
+  A   
ATOM     22  CA  ALA     2       6.858  25.683  -9.839  1.00 24.9274  
+  A   
ATOM     23  HA  ALA     2       6.844  26.753  -9.694  1.00 24.9274  
+  A   
ATOM     24  CB  ALA     2       5.754  24.998  -9.007  1.00 24.9274  
+  A   
ATOM     36  OG1 THR     3      11.141  27.554  -8.457  1.00 19.0884  
+  A   
ATOM     37  HG1 THR     3      10.623  27.711  -9.249  1.00 19.0884  
+  A   
ATOM     38  CG2 THR     3      11.584  25.728  -9.911  1.00 19.0884  
+  A   
ATOM     39 HG21 THR     3      12.484  26.243 -10.310  1.00 19.0884  
+  A
   
ATOM   8104  N   MET     1      -6.496 -26.244 -13.291  1.00 29.2508  
+  B   
ATOM   8105  HT1 MET     1      -6.452 -26.200 -14.329  1.00 29.2508  
+  B   
ATOM   8106  HT2 MET     1      -5.949 -27.077 -12.992  1.00 29.2508  
+  B   
ATOM   8123  N   ALA     2      -8.788 -26.130 -10.521  1.00 28.0677  
+  B   
ATOM   8124  HN  ALA     2      -9.227 -25.264 -10.749  1.00 28.0677  
+  B   
ATOM   8125  CA  ALA     2      -9.147 -26.653  -9.220  1.00 28.0677  
+  B   
ATOM   8126  HA  ALA     2      -9.475 -27.676  -9.335  1.00 28.0677  
+  B   
ATOM   8127  CB  ALA     2      -7.979 -26.598  -8.218  1.00 28.0677  
+  B   
ATOM   8133  N   THR     3     -11.093 -26.367  -7.736  1.00 18.4152  
+  B   
ATOM   8134  HN  THR     3     -10.807 -27.207  -7.281  1.00 18.4152  
+  B   
ATOM   8135  CA  THR     3     -12.402 -25.826  -7.360  1.00 18.4152  
+  B   
ATOM   8136  HA  THR     3     -12.432 -24.774  -7.602  1.00 18.4152  
+  B
[download]

In reply to Re^8: incrementing already existing file by wanttoprogram
in thread incrementing already existing file by wanttoprogram

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