Re: [AMBER] Per-residue decomposition output file format looks unfriendly

From: Jason Swails <jason.swails.gmail.com>
Date: Tue, 25 Jun 2013 07:52:03 -0400

On Tue, Jun 25, 2013 at 7:22 AM, Jan-Philip Gehrcke <jgehrcke.googlemail.com
> wrote:

>
>
> On 06/25/2013 01:03 PM, Kshatresh Dutta Dubey wrote:
> > Hi,
> >
> > I didn't go through the results but your final output is in csv format
> > which is a bit unfriendly to you. If you want to save it in friendly
> manner
> > use csv_format=0 in the decompostion namelist.
> >
>
> T,o,t,a,l, ,E,n,e,r,g,y, ,D,e,c,o,m,p,o,s,i,t,i,o,n, is more than just
> unfriendly :-)
>

True. It's a result of strings being iterable in Python and the csv writer
happily iterating by-character and placing each into its own field. It
should be passed as a list with one string instead... sigh. I'll fix that
up.

Thanks,
Jason

-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Tue Jun 25 2013 - 05:00:05 PDT
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