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[ccp4bb]: CCP4 Release 4.2: Now Available



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     #########################################################
     #                                                       #
     #                   The CCP4 SUITE                      #
     #                                                       #
     #              -Computer Programs for                   #
     #            Macromolecular Crystallography             #
     #                                                       #
     #                     VERSION 4.2                       #
     #                                                       #
     #########################################################

     
                      ------ OUT NOW ! ------


The latest version of the CCP4 Suite for macromolecular
crystallography is now available on the CCP4 anonymous ftp server
(ftp.ccp4.ac.uk - cd pub/ccp4).  The CCP4 Suite is mirrored in San
Diego at rosebud.sdsc.edu (directory /pub/sdsc/xtal/CCP4 ) and in
Japan at ftp2.protein.osaka-u.ac.jp (directory /mirror/ccp4/ccp4 ),
but please allow some time for the mirror sites to be updated to the
new version.

The suite is available free to non-profit institutions, subject to a
completed license form being returned to the CCP4 secretary. A charge
is made to commercial users who should contact the CCP4 secretary at
ccp4@ccp4.ac.uk to make arrangements. Further details on obtaining the
Suite can be found on the CCP4 web site http://www.ccp4.ac.uk

New in version 4.2:

ACORN
   ab initio procedure for the determination of protein structure
   at atomic resolution (Yao Jia-Xing)

BEAST
   Brute-force molecular replacement with Ensemble Average Statistics,
   Maximum likelihood-based molecular replacement (Randy Read)

PROFESSS (formally eleanorinabox) 
   determination of NCS operators from heavy atoms (Kevin Cowtan)

ROTAMER 
   list amino acids whose side chain torsion angles deviate from
   Richardson's Penultimate Rotamer Library (Dirk Kostrewa)

ASTEXVIEWER
   Java application for viewing proteins, ligands and electron
   density maps (Mike Hartshorn)

plus others.... Also new versions of REFMAC5 (5.1.19), MOSFLM (6.2.1),
DYNDOM(1.2), FFFEAR(1.9), MOLREP(7.3) and SCALA (3.1.4).

Updates to the graphical user interface CCP4i:

   * New and updated tasks, including:
       * New interfaces to: ACORN, BEAST, OASIS, ANISOANL, TLSANL, 
         PHISTATS, PROFESSS
       * New stand-alone task in Coordinate Utilities to import and 
         edit a protein sequence.
       * An explicit "Structure Factors for Deposition" task to
         encourage you to deposit your data!
   * ARP/wARP: stand-alone interface has been withdrawn - get the latest 
     ARP/wARP suite and CCP4i interface from http://www.arp-warp.org/
   * Map sections can be viewed with MAPSLICER, and this can be
     set as the default viewer in the Preferences.
   * Configuration: The task lists can be customised using the 
     "Edit Modules File" task under the "System Admin" menu.
   * Install New Task: substantially revised version allows install, 
     uninstall and export of new tasks. 

Other highlights in 4.2 include:

   * Compilation of the LAPACK linear algebra package is now the default
     as REFMAC, SCALA and BEAST now depend on it. In extremis, there is
     a --disable-lapack configure switch.
   * New library pxxml.f for writing XML files. These routines are used
     by ALMN, MATTHEWS_COEF and PEAKMAX.

Plus many, many minor changes....

Details of all the changes can be found in the CHANGES file in the
top-level directory ($CCP4), and in $CCP4/html/CHANGESinV4_2.html.

Please note: binaries are now available for Irix, Osf1 and Linux.
Support for Intel compilers and for Windows NT will be available as of
the patch release 4.2.1.

--
_____________________________________________________
Peter J Briggs, pjx@ccp4.ac.uk   Tel: +44 1925 603826
CCP4,           ccp4@ccp4.ac.uk  Fax: +44 1925 603825
                http://www.ccp4.ac.uk/
Daresbury Laboratory, Daresbury, Warrington   WA4 4AD