From Leif.Laaksonen@csc.fi  Thu Feb 11 11:52:32 1993
Date: Thu, 11 Feb 1993 09:52:32 +0200
Message-Id: <199302110752.AA07173@csc.fi>
To: amber@cgl.ucsf.edu, charmm-bbs@emperor.harvard.edu, gromos@igc.ethz.ch,
From: Leif.Laaksonen@csc.fi
Subject: SCARECROW Computing Presents



SCARECROW is a program for the analysis of MD trajectories. It has been
published in the J. Mol. Graph. 10 (1992) 33. In fact the program is much 
more than just a MD analysis package. The package also contains:

(1) The ICON8 extended Huckel program modified to eat 1000 atoms. There
    is an interface from SCARECROW to ICON8. The ICON8 program can 
    generate the input to an electrostatic potential program (VSS).

(2) The electrostatic potentiall program VSS. This is a c-code version
    of the old VSS program. The out put from VSS can be displayed with
    SCARECROW

(3) A probe surface program to generate Connolly type of surfaces.

(4) A program to generate orbitals or electron density data from orbitals
    generated with ICON8.

SCARECROW is now able to read several different types of coordinate
files like the CHARMM, INSIGHT, PDB and several other types of files.
Trajectory analysis can be done for CHARMM, DISCOVER, YASP, MUMOD,
GROMOS, and AMBER binary trajectories, and very soon also for
HyperChem. Some of the goodies are only available for CHARMM users.

New features in SCARECROW are the possibility to calculate radial
distribution functions, power spectrum for main component analysis
of time series and a possibility to calculate diffusion coefficients
and much more. There is a very crude 2D display facility but the
data can always be exported to your favourite plotting package.

SCARECROW has a graphics interface and runs now only on Silicon
Graphics Machines. On SGI machines it's also possible to run 
SCARECROW without graphics. I don't have any plans to port
the stuff to other platforms, sorry.

If you are interested to get more information about SCARECROW 
please feel free to get in touch. I have so far been distributing
the program for free, if somebody makes money out of it I want
to get my share.

Cheers,

-leif laaksonen

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Leif.Laaksonen@csc.fi   
                          Center for Scientific Computing
                          P.O. Box 405 
                          FIN-02101 Espoo 
                          FINLAND
Phone:      358 0 4572378
Telefax:    358 0 4572302
Voice Mail: 358 486257407

           "In every job to be done
            there is an element of fun"
                                       Mary Poppins
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