[Chimera-users] Vilualizing solvent distribution

[Atsutoshi Okabe]

Dear all,

I want to visualize solvent(water) distributions around one solute molecule.

I do molecular dynamics calculation with Amber8 program. 

So I got the following ouput file using grid command of Ptraj module to
analyze trajectories.

 

This line is ignored

       1

rdparm generated grid density

     100     -49      50     100     -49      50     100     -49      50

      30.000      30.000      30.000      90.000      90.000      90.000

ZYX

     -49

     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000

 

 

I think the output is in the format of a XPLOR formatted contour file and
can visualize this output data

within chimera soft ware. But I don't know how to treat this out put file in
chimera .

Can I use this file directory in chimera or have to do anything else before
I use chimera?

 

Thanks 

Atsutoshi 

 

 

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