Subject: hcmolfix

From: "Thomsen, Marianne" <[email-masked]>
Date: Thu, 14 Dec 2000 18:53:34 +0100

Hello,

I am using HyperChem for semi-empirical calculations, but need my structures
in mol-format. As there are some problems with in output mol-format that
HyperChem produces, I have downloaded the hcmolfix.exe program produced by
Hypercube, Inc. I am wondering if anyone know how to run this programme
automatically on several mol-files, around 800, in my case. 

It is possible to run the program from dosshell just writing "hcmolfix
unfixedfilname.mol > fixedfilename.mol" for one mol-file at a time.

I have tried the MS-DOS command "FOR in (c\:FILES\*.mol) DO hcmolfix" to run
the programme on a set of files, but it is not working.

Can anyone help?

Sincerely Yours,

Marianne Thomsen

Marianne Thomsen, M.Sc.
National Environmental Research Institute
Dep. of Environmental Chemistry
Frederiksborgvej 399
4000 Roskilde
Denmark
Phone: +45 46301358
Fax: +45 46301114
E-mail: [email-masked]