Subject: ANNC: Schrodinger Releases MacroModel 7.1

From: Schrodinger Info account <[email-masked]>
Date: Mon, 8 Jan 2001 12:02:19 -0800 (PST)

Schrodinger, Inc. announces that it is now shipping MacroModel 7.1,
the latest version of the well-known molecular modeling package.  The
new release of MacroModel introduces new features and includes
improvements in performance over previous versions.  In addition, this
version of MacroModel ships with Maestro 3.0, the latest release of
Schrodinger's unified graphical user interface.  Maestro is a powerful
molecular building tool that produces structure files which are
compatible with Schrodinger's MacroModel, Jaguar and Impact.  Maestro
facilitates tandem use of these products by acting as a hub through
which each of the programs can be accessed and operated.  MacroModel and
Maestro run on all common hardware platforms, including SGI, IBM, HP,
Compaq, Sun and Linux.  For more information, please visit our website
www.schrodinger.com.

---

From: Samantha Jenkins <[email-masked]>
Date: Mon, 08 Jan 2001 17:08:45 -0500

Can Maestro handle periodic unit cells, edit them and export them?

---

From: Peter Shenkin <[email-masked]>
Date: Mon, 8 Jan 2001 21:00:11 -0500 (EST)

Hi, Samantha,

Our Maestro GUI does not do this right now;  however, we hope this
month or next to set up Maestro for use for explicit-solvent
simulations with periodic conditions in the Impact program.  At
that point, we'll have to do something about this, but I'm not
sure whether it will be done at the level of the Impact input
file or the level of the Maestro structure file.

This will be limited to cubic lattices for liquid simulations, AFAIK.
I'm not sure whether you're in fact asking for full crystallographic
symmetry. We don't have any immediate plans to implement the latter.

Hope this helps,
-P.

On Mon, 8 Jan 2001, Samantha Jenkins wrote:

> -= This is automatically added to each message by mailing script =-
> [email-masked] -- To Everybody  | [email-masked] -- To Admins
> [email-masked] -- HELP CHEMISTRY or HELP SEARCH
> [email-masked] -- archive search    |    Gopher: gopher.ccl.net 70
> Ftp: ftp.ccl.net  |  WWW: http://www.ccl.net/chemistry/   | Jan: [email-masked]
> 
> 
> 
> 
>