CCP4 3.5 released

Martyn Winn m.d.winn at dl.ac.uk
Tue Mar 2 06:37:15 EST 1999


#########################################################
     #                                                       #
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     #                   The CCP4 SUITE                      #
     #                                                       #
     #                                                       #
     #              -computer programs for                   #
     #              protein crystallography                  #
     #                                                       #
     #                                                       #
     #                                                       #
     #                     VERSION 3.5                       #
     #                                                       #
     #                                                       #
     #                                                       #
     #########################################################

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


The latest version of the CCP4 Suite for protein crystallography is
now available on the CCP4 anonymous ftp server (ccp4a.dl.ac.uk or
148.79.112.134 -  cd pub/ccp4). The CCP4 Suite is mirrored in San Diego
at rosebud.sdsc.edu (directory /pub/sdsc/xtal/CCP4 ) and in Japan
at pfweis.kek.jp (130.87.176.31 , directory /mirror/ccp4/ccp4 ), but 
please allow some time for the mirror sites to be upgraded 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 at dl.ac.uk to make arrangements. Further details on
obtaining the Suite can be found on the CCP4 web site
http://www.dl.ac.uk/CCP/CCP4/main.html 

In addition to a number of bug fixes and enhancements to
existing programs, this release includes the following new programs:

   * DETWIN: detwins merohedrally twinned data. From Andrew Leslie.
   * DYNDOM: Program to Determine Domains, Hinge Axes and Hinge Bending Residues 
     in Proteins where Two Conformations are Available. From Steve Hayward.
   * FINDNCS: detect NCS operations automatically from heavy atom sites.
     From Guoguang Lu.
   * MTZMADMOD: Jiffy for converting between F+/F- and F/D
   * TOPP: an automatic topological and atomic comparison program for protein 
     structures. From Guoguang Lu.
   * WATNCS: Pick waters which follow NCS and sort out to NCS asymmetric unit.
     From Guoguang Lu.

Other highlights include:

   * New versions of REFMAC (4.0.2 with individual anisotropic
     refinement), DM (2.0.3), SCALA (2.5.5), AREAIMOL and CONTACT
   * The configure script has a new system irix64 for 64-bit compilation on
     SGI with irix 6.* and a new option --with-x for sgi/linux/osf1 which
     will compile the x-windows programs automatically.
   * The log output of DM and SCALA can now be viewed as a hyperlinked document 
     with java applets for viewing graphs.
   * The MTZ file format has been expanded to include information on datasets
     in the file header.

Details of all the changes can be found in the CHANGES file in the
top-level directory ($CCP4), and in $CCP4/html/CHANGESinV3_5.html.




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