CCL: conversion to xyz
- From: "gord" <gayers07 a cogeco.ca>
- Subject: CCL: conversion to xyz
- Date: Tue, 21 Aug 2007 16:56:42 -0500
Sent to CCL by: "gord" [gayers07.:.cogeco.ca]
I 'm not sure it's what you want but I have a small DOS
program that will convert fractional coordinates to xyz
format. I have both the executable and the source.
I think it came from the CCL archive
Gord
----- Original Message -----
From: "Jon Lyon jtl3z]~[virginia.edu"
<owner-chemistry-.-ccl.net>
To: "Ayers, Gordon W. " <gayers07-.-cogeco.ca>
Sent: Tuesday, August 21, 2007 6:55 AM
Subject: CCL: conversion to xyz
Sent to CCL by: "Jon Lyon" [jtl3z*_*virginia.edu]
Does anyone know of a program (or have a script) to convert the atomic
distances of a molecule to an xyz file (or z-matrix)?
Thanks if advance>
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