From owner-chemistry@ccl.net Wed Aug 22 12:25:02 2007 From: "Richard Leo Wood woodx278^^^umn.edu" To: CCL Subject: CCL: my question of yesterday: fractional coordinates to cartesian Message-Id: <-34981-070822115456-23808-oa2vGKIodCz/FWPdZTx7Xw]=[server.ccl.net> X-Original-From: "Richard Leo Wood" Date: Wed, 22 Aug 2007 11:54:53 -0400 Sent to CCL by: "Richard Leo Wood" [woodx278**umn.edu] Hi all, Yesterday, I posted a question about converting fractional coordinates to cartesian coordinates. A number of you responded and helped me at least to understand crystal structures a little bit better :) I learned that OpenBabel SHOULD do this, but it won't, at least not for me, not on any of the machines that I have access to (two pc's here and one at home). Even version 2.1.1 doesn't convert my .fract file to an xyz file. I would like to be able to do this myself (without having to rely on someone else to convert the .fract files I've created), but I'm at my wit's end. I've even tried a program called converte, but that doesn't work, either. I'd really appreciate a suggestion to a program that will work for me. TIA, Richard Richard L. Wood, Ph. D. University of Minnesota Dept. of Medicinal Chemistry, College of Pharmacy 717 Delaware St. SE Minneapolis, MN 55414-2959 woodx278**umn.edu