CCL: my question of yesterday: fractional coordinates to cartesian
- From: "Richard Leo Wood" <woodx278^^^umn.edu>
- Subject: CCL: my question of yesterday: fractional coordinates to
cartesian
- 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