[gmx-users] PDB file

f.namazifar at sci.ui.ac.ir f.namazifar at sci.ui.ac.ir
Mon Aug 15 15:38:20 CEST 2016


Hi Dear all;
What are these columns "1.00" and "0.00" in PDB file?
for example:

ATOM     10  N   LEU A   2       4.595   6.365   3.756  1.00  0.00      
       N ATOM     11  CA  LEU A   2       4.471   5.443   2.633  1.00   
0.00           C ATOM     12  C   LEU A   2       5.841   5.176    
2.015  1.00  0.00           C ATOM     13  O   LEU A   2       6.205    
4.029   1.755  1.00  0.00           O ATOM     14  CB  LEU A   2        
3.526   6.037   1.578  1.00  0.00           C ATOM     15  CG  LEU A    
2       2.790   4.919   0.823  1.00  0.00           C ATOM     16  CD1  
LEU A   2       3.803   3.916   0.262  1.00  0.00           C ATOM      
17  CD2 LEU A   2       1.817   4.196   1.769  1.00  0.00           C  
ATOM     18  H   LEU A   2       4.169   7.246   3.704  1.00  0.00      
       H ATOM     19  HA  LEU A   2       4.063   4.514   2.992  1.00   
0.00           H ATOM     20  HB2 LEU A   2       2.804   6.675    
2.065  1.00  0.00           H ATOM     21  HB3 LEU A   2       4.099    
6.623   0.873  1.00  0.00           H ATOM     22  HG  LEU A   2        
2.234   5.353   0.004  1.00  0.00           H ATOM     23 HD11 LEU A    
2       4.648   4.447  -0.148  1.00  0.00           H ATOM     24 HD12  
LEU A   2       3.334   3.331  -0.516  1.00  0.00           H ATOM      
25 HD13 LEU A   2       4.137   3.260   1.052  1.00  0.00           H  
ATOM     26 HD21 LEU A   2       0.941   3.892   1.216  1.00  0.00      
       H ATOM     27 HD22 LEU A   2       1.522   4.860   2.568  1.00   
0.00           H ATOM     28 HD23 LEU A   2       2.296   3.323    
2.188  1.00  0.00           H The Best. Farzaneh.


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