Subject: File conversion - Summary

From: Asim Kumar Debnath <[email-masked]>
Date: Wed, 03 Jan 2001 09:33:04 -0500

I would like to thank to all of you who responded with their
suggestions. Following is the summary of responses:
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Try dock -i your_file.mol2 -o your_file.pdb
See DOCK manual, page 27.
Or rerun DOCK, if it is not too long, with mol2 as an output option.
Happy New Year.
Elizabeth
Elizabeth Yuriev <[email-masked]>
++++++++++++++++++++++++++++++++++++++++++++++++++++++++
You problem can be solved by a small application script.

Please download the latest release of the CACTVS toolkit for
your platform from our ftp server
(ftp://www2.ccc.uni-erlangen.de/pub/cactvs) and install
the standard toolkit (unpack in empty,
temporary directory, execute the 'installme' script
and answer its questions).

Next store the following script in a text file (named for example
'convertpdb.tcl'): ------
    Dr. Ihlenfeldt was very kind to write this script few times to
accomodate my needs and it worked without any problem. Many thanks to
him.

Dr. Wolf-D. Ihlenfeldt
Computer Chemistry Center, Institute for Organic Chemistry,
University of Erlangen-Nuremberg
Naegelsbachstrasse 25, D-91052 Erlangen (Germany)
Tel (+49)-(0)9131-85-26579  Fax (+49)-(0)9131-85-26566
http://www2.ccc.uni-erlangen.de/wdi/
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

 Mol2Mol can do this type of conversion, i.e. multiple pdb files to
multiple Sybyl mol2 or MDL sdf files.
see: www.compuchem.com/mol2mol.htm

Dr Tamas E. Gunda
Research Group for Antibiotics of the Hungarian Acad. Sci.
University of Debrecen, POBox 36
H-4010 Debrecen, Hungary
tel.: (+36-52) 512 900/2472
fax: (+36-52) 512 914
e-mail: [email-masked]
home-page: www.klte.hu/~gundat/gunda.htm
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

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             ***
             ***
            ****                Asim K. Debnath, Ph.D.
           ****                 Lindsley F. Kimball Research Institute
          ****  ***             The New York Blood Center
         ****    ****           310 E 67 Th Street
        ****  **  ****          New York, NY 10021
       ****  ****  ****         Tel. (212) 570-3373
      ****    **    ****        Fax. (212) 570-3299
       ****************         E-mail: [email-masked]
        **************

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