Subject: CCL:Use of 3D crystal data in MOPAC2000

From: David Gallagher <[email-masked]>
Date: Sun, 10 Jun 2001 14:51:40 -0700

There is a program called MAKPOL that was written by Jimmy Stewart (the 
author of MOPAC) to do the kinds of things that you are trying to do. 
Schrodinger Inc. (www.schrodinger.com) should be able to provide you with a 
copy as they sell and support MOPAC 2000.

David Gallagher
CAChe Group, Fujitsu

At 10:14 AM 6/8/01 +0000, [email-masked] wrote:
>Hi there,
>
>I am currently struggling with MOPAC2000 with input of data from a periodic
>model. Is anyone aware of a package or script that will convert a standard 3D
>periodic model format (such as .xyz, .car, xtl, etc) into a data set that 
>can be
>transferred into a MOPAC input file. I have a lot of fairly similar (periodic)
>structures that I wish to use, and whilst MOPAC2000 claims to have periodic
>functionality it is very user-unfriendly in this regard.
>
>Scott Owens
>BNFL R&T
>[email-masked]