Format of conductivity output file

[flat35hd99]

Now the format like this:

    00001_MET    00010_VAL  0.000807049028934
    00001_MET    00003_SER  -0.012082959573
    00001_MET    00006_ASP  -0.0179359794504
    00001_MET    00036_PHE  -0.0126285478011
    00001_MET    00005_GLU  -0.0113971068219
    00001_MET    00004_ASP  -0.0219853656942

In general, one line contains:

<3 white_space><residue_number>_<residue_type><2 white_space><residue_number>_<residue_type><2 white_space><conductivity value>

Parsing this format is difficult.

We can make easier to parse and analyze results if the format is:

<residue_number><white_space><residue_type><white_space><residue_number><white_space><residue_type><white_space><conductivity value>

like this:

1 MET 10 VAL 0.000807049028934
1 MET 3 SER -0.012082959573
1 MET 6 ASP -0.0179359794504
1 MET 36 PHE -0.0126285478011
1 MET 5 GLU -0.0113971068219
1 MET 4 ASP -0.0219853656942

or, in csv:

1,MET,10,VAL,0.000807049028934
1,MET,3,SER,-0.012082959573
1,MET,6,ASP,-0.0179359794504
1,MET,36,PHE,-0.0126285478011
1,MET,5,GLU,-0.0113971068219
1,MET,4,ASP,-0.0219853656942

[passive-radio]

Letting users to use their own graphing tools like Graphein, networkx and etc.. we should update the format of conductivity output file. I will try to rewrite the formattter.