We are pleased to announce the release of XtalView version 3.0, which
includes support for SGI, DEC, Sun, IBM RS/6000 and PC compatible
systems.
XtalView is a complete package for solving a macromolecular crystal
structure by isomorphous replacement, including building the molecular
model. It takes full advantage of the modern workstation environment
and DOES NOT require 3-d graphics accelerators. It has a simple but
comprehensive windows based interface. A suite of crystallographic
modules is driven by the click of an icon. 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.
The release notes are included below; more information (including HTML
versions of the man pages) is available on the Web at
http://www.sdsc.edu/0h/CCMS/Packages/xtalview
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* The Computational Center for Macromolecular Structure (CCMS) *
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* The San Diego Supercomputer Center (SDSC) *
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* X t a l V i e w *
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* release 3.0 *
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* (C) The Scripps Research Institute and Duncan E. McRee *
* 10666 N. Torrey Pines Rd. *
* La Jolla, CA 92037 *
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* Author: Duncan E. McRee, TSRI *
* Contributors: Alex Shah, Andy Arvai, Mike Pique, & Mark Israel *
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* Release notes for XtalView version 3.0 April 25, 1995 *
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Since the Release of version 2.0 last year, XtalView has been ported to
DEC Alpha, SGI IRIX 5.2, IBM RS/6000 AIX, and IBM PC systems running Linux.
The current list of supported architectures is:
Sun (Solaris, Sun dialboxes)
Sun (BSD, Sun dialboxes)
SGI (IRIX versions 4, 5, and 6, SGI dialboxes)
DEC MIPS (ULTRIX)
DEC Alpha (OSF/1 versions 1, 2, and 3)
IBM RS/6000 (AIX version 3)
IBM PC compatible (Linux)
note: CCMS provides limited support for Linux platform.
The man pages were updated and several new pages were added. All the
man pages are now provided in HTML format. These are distributed with
the package, and also are available on our World Wide Web home page.
If you have access to a WWW browser, visit us at the URL
http://www.sdsc.edu/0h/CCMS/Packages/xtalview
This page includes links to manual pages in HTML format, an on-line
request form to obtain an XtalView license, and a link to the author's
home page:
http://www.scripps.edu/pub/dem-web/toc.html
This page describes some of the theory and algorithms behind XtalView,
and provides valuable tips on how to use the XtalView programs.
New features and enhancements include:
1. xfit
Speed enhancements have been made to the GL version of xfit on
the SGI systems. Support for SGI dials. Additional electron
density map contour methods are provided. Contouring Method in
the Contour Map window may be set to "Cube," "Sphere,"
"Different Axes," or "Blob." See the xfit man page for specific
information about using xfit.
2. mkskel and xskel
The ridge-line generation code mkskel is now included with
XtalView. It was written by Tom Williams, and is included
courtesy of the Computer Science Department, University of
North Carolina at Chapel Hill. You may use mkskel directly, or
use xskel, the XtalView interface to mkskel.
3. hercules and xhercules
xhercules added. xhercules searches for heavy atom sites by
calling hercules. (We continue to provide support for the
hercules program.) A section has been added to the XtalView
User's Guide for xhercules. See the hercules and xhercules man
pages for more information.
Please use the following email addresses to contact CCMS:
Send your questions about CCMS software to
ccms-help at sdsc.edu
Send requests for CCMS software to
ccms-request at sdsc.edu
Put "get xtalview" in body of the request message to obtain the
instructions for downloading XtalView and the optional source
code license.
CCMS also operates a discussion email list for the XtalView package:
To join the list for XtalView, send to
listserv at sdsc.edu
Put "add your-email-address ccms_discuss_xtalview" in the
body of the message to join this discussion group. Be sure to
use a valid internet e-mail address.
To remove your name from the list, send to
listserv at sdsc.edu
Put "delete your-email-address ccms_discuss_xtalview" in the
body of the message to leave this discussion group.
To send a note to the discussion group, address it to
ccms_discuss_xtalview at mailserver.sdsc.edu
