[Open Babel] RE: OpenBabel-discuss digest, Vol 1 #613 - 6 msgs

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[Open Babel] RE: OpenBabel-discuss digest, Vol 1 #613 - 6 msgs

drc-2
Geoff,

My fault, I gave the file a .zip extension. This opened fine so I could check the result but obviously was not suitable as an input for babel. Would it be worth having .gz added
automatically?

Chris

From: Geoffrey Hutchison <[hidden email]>
Date: Mon, 7 Nov 2005 15:00:45 -0500
To: "[hidden email] list" <[hidden email]>
Subject: [Open Babel] Fwd: Open Babel 2.0 User Documentation

Chris Swain has been kind enough to contribute some "user =20
documentation" for 2.0. This is in addition to the standard UNIX-=20
style "man" pages.

Any comments or suggestions? Thanks very much to Chris for the guide =20
and some helpful examples.

I have one -- Chris mentions the new gzip support. But Chris, the new =20=

code automatically supports import of gzip'ed files:

% babel 1ABC.pdb.gz -omol2 1abc.mol2

Are you having trouble with the gzip support? If so, that's a bug.

Thanks,
-Geoff



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[Open Babel] Re: gzip and user documentation

Geoffrey Hutchison
Chris,

I'll make sure to make the .gz bit (vs. .zip...) clearer in the  
release documentation and the user docs.

I'm not quite sure what you mean about "having .gz added  
automatically." I assume you mean with the "-z" flag for compressing  
output, a ".gz" should be added. I'm certainly open to suggestions  
here -- the current code takes the view that the code should do what  
the user requested: create the file as named.

babel 1ABC.pdb -z 1abc.mol2.gz # results in a proper .gz file
babel 1ABC.pdb -z 1abc.mol2
# results in a gzip file with a .mol2 extension (not necessarily  
good, but isn't that what the user requested?

babel *.pdb -omol2 -z -m # should batch convert all .pdb files to  
mol2 and automatically add the .mol2.gz extension.

Cheers,
-Geoff

On Nov 8, 2005, at 3:26 AM, [hidden email] wrote:

> Geoff,
>
> My fault, I gave the file a .zip extension. This opened fine so I  
> could check the result but obviously was not suitable as an input  
> for babel. Would it be worth having .gz added automatically?
>
> Chris



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