Pdb2solv example

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Non polar option

To running considering the polar non option

./pdb2solv -i ../samples/119L.pdb 

The output file would be like

--------------------------------------------------------------------------------------------------------------- 
total quantity of residues evaluated | AA type(3L) | frequencies 
--------------------------------------------------------------------------------------------------------------- 
15  ALA     14  21  15  17  12  19  7  8  21  21  13  23  20  19  18
 0  CYS
10  ASP     16  14  12  7  15  9  11  8  9  11
 8  GLU     12  17  9  18  17  15  15  16
 5  PHE     14  18  21  20  21
 0  GLY
 1  HIS     18
 .......


Polar option

To running considering the polarity check mode option

./pdb2solv -i ../samples/119L.pdb -p


The output file would be like

--------------------------------------------------------------------------------------------------------------- 
P |  total quantity of residues evaluated | AA type(3L) | frequencies | Polar frequency | 
--------------------------------------------------------------------------------------------------------------- 
P   15  ALA     7 6     10 5    5 2     9 3     5 4     8 1     3 3     3 2     7 2     8 3     6 4     10 5    9 4     8 5     5 5
P    0  CYS
P   10  ASP     7 4     6 5     8 6     5 5     8 2     6 3     4 3     5 2     5 3     6 5
P    8  GLU     6 2     4 2     3 3     8 3     7 3     6 4     7 2     6 3
P    5  PHE     6 3     8 4     8 3     4 2     11 4
P    0  GLY
........