From chemistry-request@www.ccl.net Wed Jan 20 08:36:47 1999 Received: from modeling.farma.unige.it (modeling.farma.unige.it [130.251.75.66]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with SMTP id IAA00505 Wed, 20 Jan 1999 08:36:39 -0500 (EST) Received: (from lopresti@localhost) by modeling.farma.unige.it (940816.SGI.8.6.9/950213.SGI.AUTOCF) id OAA03825 for chemistry@www.ccl.net; Wed, 20 Jan 1999 14:35:16 +0100 From: "lo presti eleonora" Message-Id: <9901201435.ZM3823@modeling.farma.unige.it> Date: Wed, 20 Jan 1999 14:35:11 +0100 X-Mailer: Z-Mail (3.2.2 10apr95 MediaMail) To: chemistry@www.ccl.net Subject: analysis of conformers Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii Hi CCLers, could anybody point me to a program which allows to handle the large amounts of data produced by conformational searches (for example MonteCarlo search), in particular remove duplicate conformations and cluster the results from conformation searches? I'll summarize the responses. Thanks in advance. Eleonora -- ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Eleonora Lo Presti Dip. Scienze Farmaceutiche - Facolta' di Farmacia Universita' di Genova - Viale Benedetto XV, 3 - 16145 Genova Italy lopresti@modeling.farma.unige.it ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++