From bkarlak "-at-" ren.onyx-pharm.com Mon Nov 21 16:13:39 1994 Received: from iserver.onyx-pharm.com for bkarlak%!at!%ren.onyx-pharm.com by www.ccl.net (8.6.9/930601.1506) id PAA28985; Mon, 21 Nov 1994 15:56:02 -0500 Received: from ren.onyx-pharm.com by iserver.onyx-pharm.com (5.67/1.37) id AA25645; Mon, 21 Nov 94 12:55:54 -0800 Received: by ren.onyx-pharm.com (931110.SGI/921111.SGI.AUTO) for -x- at -x- iserver.onyx-pharm.com:CHEMISTRY -x- at -x- ccl.net id AA20833; Mon, 21 Nov 94 12:55:53 -0800 From: "Brian Karlak" Message-Id: <9411211255.ZM20831 # - at - # ren.onyx-pharm.com> Date: Mon, 21 Nov 1994 12:55:51 -0800 In-Reply-To: Tom Moock x1301 "CCL:anothere inquiry from internet" (Nov 21, 8:48am) References: <01HJQH3DNF4Y8YA6IG- at -mdli.com> X-Mailer: Z-Mail (3.1.0 22feb94 MediaMail) To: CHEMISTRY "-at-" ccl.net Subject: Re: CCL:anothere inquiry from internet Content-Type: text/plain; charset=us-ascii Mime-Version: 1.0 I've found that dbtranslate, in Tripos' suite of Unity products, can perform the 3D -> 2D coordinate translation by translating the 3D structure into SMILES or SLN (which contain only connectivity info, thus stripping the coordinate info) and then translating that file into a sybmol, sybmol2 or maccs file. The double translation can be performed with a single Unix command and is very fast. Brian Karlak Onyx Pharmaceuticals