PACKAGES

The following software is distributed currently:

SHAPE
    Analysis tools for solvent-accessible molecular surfaces, including
    Surfractal, which calculates the local fractal dimension to define
    grooves and protrusions on surfaces, MaxAccess, which determines
    the radius of the largest sphere accessible to each surface point,
    and SrftoBiosym, which bins and converts surface file output into
    Biosym-readable format.

    Shape is licensed by The Scripps Research Institute. This software
    may be obtained by e-mail request.  We ask that you return a signed
    copy of the software license agreement sent in response to your
    e-mail.

    To receive information on obtaining SHAPE software, send e-mail
    to:

	    ccms-request@sdsc.edu

	    leave the SUBJECT  line blank

	    type ' get shape ' in the message

    This is an automated process, and you'll receive a copy of the
    license agreement and instructions on how to get a copy of the
    software by return e-mail.

FLEX
    Flex is a simple, portable molecular graphics program that
    interactively displays 3D ball-and-stick models on workstations
    running the Xwindows system.  Flex can accept input read from a
    file or passed over a network socket connection.  The latter
    functionality makes flex ideal for monitoring large-scale
    simulations as they progress.  Flex provides a library of
    subroutines, netg, to support this function.  There are other
    (earlier) versions of Flex available on the net; this one is
    supported and includes documentation of the communications library.

    Flex is accompanied by ffe (flex front end), a program that
    connects to flex over a socket and allows more precise user control
    of the displayed molecule.

    Flex is freely available by anonymous FTP at ftp.sdsc.edu in the
    directory /pub/ccms/flex.  The README file in that directory
    contains most if not all of the information you will need.  If you
    have other questions or comments, send e-mail to

	    ccms-help at sdsc dot edu

XTALVIEW

    XtalView is a complete package for solving a macromolecular crystal
    structure by isomorphous replacement, including building the
    molecular model.  It runs on Sun, DEC, and SGI computers and takes
    full advantage of the modern workstation environment.  It has a
    simple but comprehensive windows based interface.  XtalView
    maintains log files of the computations done.  Standard file
    formats are used, which facilitates communication between XtalView
    and programs such as X-PLOR, TNT, and MERLOT.

    XtalView is described in the book 'Practical Protein
    Crystallography' by Duncan McRee, who also designed the program.

    XtalView is free for non-profit use.  For-profit users should
    contact Duncan McRee (dem@scripps.edu, Telephone (619) 554-9235)
    concerning licensing.  A binary distribution is available
    through the e-mail responder; source code is available, but
    requires a signed license.

    To receive information on obtaining XtalView software, send e-mail
    to:

	    ccms-request@sdsc.edu

	    leave the SUBJECT  line blank

	    type ' get xtalview ' in the message

    This is an automated process, and you'll receive instructions on
    how to get a copy of the XtalView binaries and also a license
    agreement form for the source code of XtalView by return e-mail.
    We ask that you return the signed license agreement if you'd
    like to receive the source code of XtalView ( ~100000 lines of C
    and Fortran ).