Subject: Urgent ? re PCModel for Windows

From: "Hr. Dr. S. Shapiro" <[email-masked]>
Date: Fri, 8 Sep 1995 20:49:52 +0100 (MET)

Dear Colleagues;

     The following questions pertain to the molecular modelling programme
PCModel for Windows, manufactured by Serena Software of Bloomington, Indiana.
(I have PCModel for Windows version 5.13):

     (i) Does PCModel for Windows have a mode where you simply give it a com-
mand, including an input structure file name, and have it return an output
file; in other words, does it have a batch mode, or is it entirely driven by
clicking buttons with a mouse?

    (ii) Does PCModel have a scripting language or a command file structure?
For example, will PCModel for Windows allow you, in a command file, to

             a. specify the input file
             b. specify values for specific torsion angles
             c. calculate the energy of the modified structure?

     Please respond directly to me at your earliest convenience.  I thank all
responders in advance for their kind cooperation in the above matter.

Yours most respectfully,

(Dr.) S. Shapiro
Inst. f. orale Mikrobiol. u. allg. Immunol.
Zent. f. Zahn-, Mund- u. Kieferheilkd. der Univ. ZH
Plattenstr. 11
Postfach
CH-8028 Zuerich 7
Switzerland

Internet: [email-masked]
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