[BiO BB] Re: BiO_Bulletin_Board Digest, Vol 9, Issue 3

[Elavazhagan]

Hai,
I suggest u to choose Dundee prodrug server to perform file conversion where 
u can draw the molecule using JME editor,it will be converted to huge number 
of formats.U can choose what ever u want.U can also optimise the molecule .u 
can get it through
http://davapc1.bioch.dundee.ac.uk/programs/prodrg/.
I hope it helps.
Bye.

 On 7/6/05, bio_bulletin_board-request at bioinformatics.org <
bio_bulletin_board-request at bioinformatics.org> wrote: 
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> Today's Topics:
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> 1. Mol2 to PDB (Subhash Agarwal)
> 2. Re: Mol2 to PDB (Jan-Christoph Westermann)
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> 
> ----------------------------------------------------------------------
> 
> Message: 1
> Date: Wed, 6 Jul 2005 15:40:33 +0100 (BST)
> From: Subhash Agarwal <smagarwal at yahoo.com>
> Subject: [BiO BB] Mol2 to PDB
> To: bio_bulletin_board at bioinformatics.org
> Message-ID: <20050706144033.72298.qmail at web31501.mail.mud.yahoo.com>
> Content-Type: text/plain; charset=iso-8859-1
> 
> Hi all
> 
> I need to convert some chemical molecules which are in
> .mol2 format to PDB format. When i try to do so using
> Insight what i find is that bond information is lost.
> 
> Can anybody suggest me a way for converting .mol2
> format to PDB format so that the bond information is
> not lost.
> 
> Thanks
> Subhash
> 
> 
> 
> 
> 
> 
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> ------------------------------
> 
> Message: 2
> Date: Wed, 06 Jul 2005 16:59:58 +0200
> From: Jan-Christoph Westermann <jwester at sgi1.chemie.uni-hamburg.de>
> Subject: Re: [BiO BB] Mol2 to PDB
> To: "The general forum at Bioinformatics.Org <http://Bioinformatics.Org>"
> <bio_bulletin_board at bioinformatics.org>
> Message-ID: <42CBF1EE.4060401 at sgi1.chemie.uni-hamburg.de>
> Content-Type: text/plain; charset=ISO-8859-1; format=flowed
> 
> Subhash Agarwal schrieb:
> > Hi all
> >
> > I need to convert some chemical molecules which are in
> > .mol2 format to PDB format. When i try to do so using
> > Insight what i find is that bond information is lost.
> >
> > Can anybody suggest me a way for converting .mol2
> > format to PDB format so that the bond information is
> > not lost.
> 
> Try Open Babel.
> http://openbabel.sourceforge.net/
> 
> HTH,
> jcw
> 
> 
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> End of BiO_Bulletin_Board Digest, Vol 9, Issue 3
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-- 
E.Elavazhagan
09444332083
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