Re: [AMBER] decomposition output file

From: Jason Swails <jason.swails.gmail.com>
Date: Thu, 4 Sep 2014 07:39:18 -0400

On Thu, Sep 4, 2014 at 12:51 AM, Bill Miller III <brmilleriii.gmail.com>
wrote:

> The decomposition output is in the format of a comma-separated values (CSV)
> file. You should be able to open the file in your favorite spreadsheet
> program (such as Excel) using comma delimiters that will separate each
> value into its own cell for easier reading.
>
‚Äč
I personally prefer CSV files myself (easier to machine-process), but you
can have MMPBSA.py write an ASCII-formatted file that looks better under
fixed-width fonts by putting the keyword "csv_format=0" in the &decomp
section of the MMPBSA.py input file.

You can also change the csv_format variable to 0 in the _MMPBSA_info file
and run "MMPBSA.py -rewrite-output" to have MMPBSA.py immediately
regenerate the output file in the other format.

HTH,
Jason

-- 
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Thu Sep 04 2014 - 05:00:06 PDT
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