Subject: Re: CCL:Q:Explorer Modules

From: <[email-masked]>
Date: Fri, 9 Sep 94 16:56:03 bst

> 	Does anyone know of any Explorer modules, for use with the SGI 
> version, that allow you to visualize data from the ab initio package 
> GAMESS or dynamics files generated by the SYBYL package?  

Yes.

Any information 
> on such topics would be of great help.
> 

Check 'em out:

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   NAME
        ReadGAMESS

   DESCRIPTION
        This module inputs a GAMESS input or output file, determines the
        connectivity using a covalent radius test, and outputs an Explorer
        Chemistry Pyramid.

****************************************************************************

   NAME
        WriteGAMESS

   DESCRIPTION
        This module inputs an Explorer Chemistry Pyramid and writes a GAMMES 
        input file. The appropriate keyword and header information is extracted
        from a specified file, i.e., another GAMESS input or even an output.
        If no such file is specified the module will not work. It is a 
        first attempt at interconverting molecular file formats such as 
        MOPAC -> GAMESS in Explorer.

****************************************************************************

   NAME
        EyeSybyl

   DESCRIPTION
        This module reads the molecular data of a Sybly mol file and builds
        a Chemistry Pyramid. It is basically an implementation of the 
        InterCon program written by Dr. Stuart Greene.

****************************************************************************

EyeSybyl is included with the other Eye* modules on the IRIX 5.2 CD. 
IRIX 4.0.5 versions are available by ftp: argon.ch.ic.ac.uk/pub/eyechem.

I havn't shipped the GAMESS modules so if you want your copies, just 
send me some e-mail.

Salute!

Omer

-- 
Omer Casher                             [email-masked]
c/o Departmant of Chemistry             Or +44 171-589-5111 (ex 55779 or 55843)
Imperial College, London                "If it's painful, it's incorrect." 
SW7 2AZ