From che5jwc-!at!-titan.vcu.edu  Mon Nov  3 13:34:58 1997
Received: from titan.vcu.edu  for che5jwc;at;titan.vcu.edu
	by www.ccl.net (8.8.3/950822.1) id NAA26456; Mon, 3 Nov 1997 13:31:45 -0500 (EST)
From: <che5jwc ^%at%^ titan.vcu.edu>
Received: from [128.172.182.152] by titan.vcu.edu (AIX 4.1/UCB 5.64/4.03)
          id AA80948; Mon, 3 Nov 1997 13:28:26 -0500
Message-Id: <345E17ED.696B ^%at%^ titan.vcu.edu>
Date: Mon, 03 Nov 1997 13:29:01 -0500
Reply-To: che5jwc;at;titan.vcu.edu
Organization: VCU
X-Mailer: Mozilla 3.01Gold (Win95; I)
Mime-Version: 1.0
To: chemistry /at\www.ccl.net
Subject: CCL:Babel Charges (from *.hin)
Content-Type: text/plain; charset=us-ascii
Content-Transfer-Encoding: 7bit


I am trying to convert HyperChem (*.hin) files to a format readable by
Insight that includes CHARGES on the atoms using Bable1.06. My system
includes a heteroatom (Pt) that is not recognized by some file types,
and *.pdb files do not incorporate charges. That is not a problem, the
heteroatom type can be assigned manually. However, when using Babel to
produce a different file format (*.mol, *.mol2, etc.) from the original
*.hin file, the charges are not retained. Any suggestions? Advance
thanks.

Cheers,
John Cox
Virginia Commonwealth University
Richmond, Virginia, USA