Subject: Re: CCL:renumbering a pdb file

From: "Tamas E. Gunda" <[email-masked]>
Date: Thu, 24 Oct 2002 09:32:36 +0200

Hi,

Mol2Mol can do such tricks: if a mol2 file is "scrambled", it corrects
automatically the atoms. Or if you input a PDB file where the numbering is
not progressive, the output will be OK. Anyway, could you send me such a
Mol2 file to inspect it?

Tamas
----------------------------------
Dr. Tamas E. Gunda
Research Group for Antibiotics
Hungarian Academy of Sciences
University of Debrecen, POBox 36
H-4010 Debrecen, Hungary
[email-masked]

----- Original Message -----
From: <[email-masked]>
To: <[email-masked]>
Sent: Wednesday, October 23, 2002 16:10
Subject: CCL:renumbering a pdb file

>
> Hi everybody,
> I have a problem related with the use of DOCK5.0.
> The default output of the docking run is a mol2 file.
> In order to visualize the output i need to convert this file to a pdb
format.
> I've have tried the conversion with Babel but the molecules in the pdb
files
> have not progressive numbers.
>
> Any suggestion?
>
> Thank you in advance.
>
> Sara
>
> Sara Pacchioni
> PhD student
> University of Modena e Reggio Emilia
> Italy
> e-mail: [email-masked]
>
>
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