From owner-chemistry@ccl.net Thu Apr 27 20:44:00 2017 From: "Cristian Bologa CBologa],[salud.unm.edu" To: CCL Subject: CCL: Mol2 format specification? Message-Id: <-52771-170427201531-31437-VvghjG1L62Emr1cfN4JKxw:_:server.ccl.net> X-Original-From: Cristian Bologa Content-Language: en-US Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset="us-ascii" Date: Fri, 28 Apr 2017 00:15:21 +0000 MIME-Version: 1.0 Sent to CCL by: Cristian Bologa [CBologa++salud.unm.edu] Elaine, While not "official", here seems to be a copy of the the mol2 file format from the SYBYL manual. http://chemyang.ccnu.edu.cn/ccb/server/AIMMS/mol2.pdf Also if it has ever been available on the Tripos web site, you might be able to get it from there using the Wayback Machine http://web.archive.org/web/*/tripos.com Regards, Cristian Cristian Bologa, Ph.D. Research Professor, Div. of Translational Informatics, Dept. of Internal Medicine, Univ. of New Mexico, School of Medicine, Innovation Discovery&Training Center, MSC09 5025, 700 Camino de Salud NE, Albuquerque, NM 87131 Telephone: +1 (505) 925-7534 Fax:+1 (505) 925-7625 -----Original Message----- > From: owner-chemistry+cbologa==salud.unm.edu-*-ccl.net [mailto:owner-chemistry+cbologa==salud.unm.edu-*-ccl.net] On Behalf Of Elaine Meng meng[a]cgl.ucsf.edu Sent: Thursday, April 27, 2017 2:41 PM To: Cristian Bologa Subject: CCL: Mol2 format specification? Sent to CCL by: "Elaine Meng" [meng!=!cgl.ucsf.edu] Hi folks, I can no longer find any "official" (Tripos SYBYL) Mol2 file-format description. Is anybody aware of a such a webpage or document accessible online? There isn't even a description in wikipedia, as far as I can tell. All I've found are short descriptions within the documentation for other programs. Thanks, Elaine ---------- Elaine C. Meng, Ph.D. UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab Department of Pharmaceutical Chemistry University of California, San Franciscohttp://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp://www.ccl.net/chemistry/sub_unsub.shtmlhttp://www.ccl.net/spammers.txt