Subject: Re: CCL:HyperChem and Schakal

From: [email-masked] (Joel Polowin)
Date: Thu, 8 Aug 96 10:48:55 -0400

> Date: Wed, 7 Aug 1996 13:15:15 +0100 (BST)
> From: patrick kane <[email-masked]>
> 
>  I would be much obliged if anyone tell me if there is a file format 
> which is compatible with both HyperChem and Schakal.

Not according to the information that I can find about Schakal.  Schakal
is supposed to be able to read a file of atomic names and coordinates;
I don't know the exact format that it requires, but you should be able
to edit a HIN file down to that by using a text filter such as a small
AWK program.  A file of atomic symbols and coordinates can be processed
into a HIN file by the XRAY2HIN.EXE utility which we have on our ftp/WWW
site (ftp://www.hyper.com/pub/other/xray2hin.exe).  HyperChem for SGI
can read such a file directly.

Joel
 
------------
Joel Polowin, Ph.D.   Manager, Scientific Support
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