From chemistry-request[ AT ]server.ccl.net Thu Jan 2 11:10:55 2003 Received: from smtp01.sohu.com ([61.135.132.105]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id h02GAr903578 for ; Thu, 2 Jan 2003 11:10:54 -0500 Received: from pak3 (unknown [140.232.202.227]) by smtp01.sohu.com (Postfix) with ESMTP id 863945367A for ; Thu, 2 Jan 2003 23:43:38 +0800 (CST) Message-ID: <031e01c2b279$5d1bb8c0$e3cae88c #at# pak3> From: "Alan Leo" To: References: <3E144367.1821EAED ^%at%^ ysbl.york.ac.uk> Subject: FLEXX error message from ligand MOL2 read Date: Thu, 2 Jan 2003 11:09:27 -0500 MIME-Version: 1.0 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: 7bit X-Priority: 3 X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook Express 6.00.2600.0000 X-MimeOLE: Produced By Microsoft MimeOLE V6.00.2600.0000 Hi, All: I am using FLEXX evalution now, but when I input the ligand minimization mol2 file, the following error messgae is appeared: _____________________________________________ FLEXX> lig FLEXX/LIGAND> read TSB_min >> DATA ERROR: No molecules found. [occured in line 126 of file TSB_min] Segmentation fault (core dumped) _____________________________________________ I have three question: 1. I don't know if there is any newsgroup related to FLEXX except chemweb newsgroup. 2. The error message above point out the error of my sybyl mol2 file error, or maybe it is because of other reasons. 3. Should I minimize the ligand structure before I generate the *_min.mol2 file? Which software I should use? Don't peng me, I am a newbie. :) Your help is much appreciated.. Best, Alan