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From: Pradipta Bandyopadhyay <pradipta*- at -*si.fi.ameslab.gov>
Message-Id: <199908091852.NAA30188 \\at// si.fi.ameslab.gov>
Subject: software for preparing input file for large molecule!
To: chemistry*- at -*ccl.net (CCL)
Date: Mon, 9 Aug 1999 13:52:46 -0500 (CDT)
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 Dear CCL members,
    I have a question about the preparation of input file for large molecules.
 It is hard to use z-matrix input for a large molecule. So I decided to use
 some drawing software to draw the molecule and then extract the coordinates
 using 'BABEL'. I have been using ISIS Draw 2.2.1. However, all structures
 drawn by me are coming as planar  i.e. Z-coordinates are all zero.
 My question is 
     Am I making some mistake or is it intrinsic to ISIS?
        and
     is there any other software, which can do the things better?
       and
     what is the standard way of generating input file for a large molecule
    (say, has 100 atoms) i.e. my way is correct or not?
 Thanks for your help. I will summarize the replies.
                                          Pradipta
        
-- 
               *****************************************
               *   Dr. Pradipta Bandyopadhyay          *
               *   AMES LAB                            *
               *   Department of Chemistry             *
               *   Iowa State Unievrsity               * 
               *   Ames, IA 50011                      *
               *   USA                                 *
               *   e-mail: pradipta#* at *#si.fi.ameslab.gov  *
               *   Phone : 515-294-4604  (Lab)         *
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