From chemistry-request -A_T- server.ccl.net Wed Mar 22 10:09:17 2000 Received: from soul.helsinki.fi (soul.helsinki.fi [128.214.3.1]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id KAA18073 for ; Wed, 22 Mar 2000 10:09:13 -0500 Received: from localhost (mpjohans;at;localhost) by soul.helsinki.fi (8.9.3/8.9.3) with ESMTP id RAA10280 for ; Wed, 22 Mar 2000 17:06:57 +0200 (EET) X-Authentication-Warning: soul.helsinki.fi: mpjohans owned process doing -bs Date: Wed, 22 Mar 2000 17:06:57 +0200 (EET) From: Mikael Johansson X-Sender: mpjohans \\at// soul.helsinki.fi To: chemistry%!at!%ccl.net Subject: HyperChem .hin-file to PDBQ converter: hin2pdbq.py In-Reply-To: <01bf9403$51c9b6d0$eb4a90c1 #at# qogolem.usc.es> Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Hello All! If someone thinks he/she could use a little proggie that converts HyperChem .hin-files to PDBQ-files (for use with for example AutoDock) feel free to download it from: http://www.helsinki.fi/~mpjohans/python/ I wrote it because I couldn't find any converter that would have kept the charges on the atoms. The program is written in Python, so you will need a Python interpeter (everyone should have one :-) If you find anything to comment on, please do. Have a nice day, Mikael Johansson University of Helsinki Department of Chemistry mikael.johansson&$at$&helsinki.fi