Dear All,
We're very pleased to announce the release of the latest version of the CCP4
Software Suite. Version 6.3.0 (Settle) is now available from the CCP4 download
website:
http://www.ccp4.ac.uk/download.php
The release is available for Linux, Mac OSX and Windows platforms, and delivers
a number of new programs, updates and features:
1. New Components and Updates:
New:
Aimless(Scaling and Merging, replacement for Scala)
Prosmart (Generation of external restraints for Refmac)
Nautilus (Automatic building of RNA/DNA)
Ample (Automatic Ab initio modelling for Molecular Replacement)
Dimple (Automatic difference map calculation)
Zanuda (Space group checker/validator)
CMapCut(Preparation of electron-density search model for MR)
Comit (Composite omit maps)
Gesamt (Structure aligner not using secondary structure assignments)
ViewHKL(Graphical viewer for reflection data)
Updated:
Mosflm v7.0.9 (Data processing/reduction)
iMosflm v1.0.7 (Mosflm GUI)
Pointless v1.6 (Laue group determination)
Refmac v5.7(Macromolecular refinement)
Phaser v2.5.1 (Molecular Replacement and Experimental Phasing)
MrBump (Automatic Molecular Replacement, now includes phaser.sculptor
models)
Xia2 (Automated data reduction)
CCP4mg v2.6.2 (CCP4 Molecular Graphics, much improved on features and
stability)
CCP4 Graphical User Interface:
- new automation module
- provides interfaces for new and updated modules
- ViewHKL option for viewing reflection (mtz) files
More information on updates is available from:
http://www.ccp4.ac.uk/html/CHANGESinV6_3.html
2. ARP/wARP co-distribution
Release 6.3.0 marks a milestone in collaboration between CCP4 and ARP/wARP
teams by releasing ARP/wARP Model Building software v7.3 jointly with CCP4
Software Suite. In order to get ARP/wARP Software, academic users need only to
select the appropriate package from download pages or with our new Package
Manager, and type in their name and e-mail address where required. Commerical
users will be required also to provide their reference number, obtainable
separately from EMBL-EM.
ARP/wARP 7.3 includes the following major updates and changes (on behalf of
Victor Lamzin):
- The protocols for the use of NCS in protein chain tracing have
been improved and expanded to a wider range of resolutions.
- Common ligands can now be automatically identified and fit into
a specified electron density.
- The algorithm for modelling partial ligands (cocktail screening)
has been replaced with a new one that applies a number of
sophisticated numerical features
- The ARP/wARP graphics front-end, ArpNavigator, automatically
assigns secondary structure and has an improved visual presentation
of a static model or real time protein or ligand building.
- Supported computer platforms are Mac powerpc, Mac Intel and Linux
(including 32 and 64-bit versions).
- The ARP/wARP installer has been considerably updated on all platforms.
- Joint software release and authentication with the CCP4 is now
possible.
- CCP4 6.3.0 and Refmac 5.7.0029 are the recommended versions to
use with ARP/wARP 7.3.
3. 64-bit precompiled packages
Starting with version 6.3.0, CCP4 distributes both 32-bit and 64-bit
precompiled binaries for Linux. Note that 64-bit codes will not run on 32-bit
architectures, and 32-bit codes will run on 64-bit setups only if 32-bit
libraries are installed (not a default for most Linuxes).
THEREFORE: PLEASE MAKE SURE THAT YOU HAVE SET THE 32-bit/64-bit SWITCH ON TOP
OF THE DOWNLOAD PAGES CORRECTLY BEFORE ALL!
4. Friendly Coot and CCP4mg distributions
Coot is known to be less portable than the rest of CCP4 Program Suite. CCP4mg
is more portable and requires special builds only for older Linuxes. Our new
Package Manager will try to automatically choose Coot and CCP4mg bundles that
are most appropriate for your system. In addition, our new download pages will
offer you a range of precompiled Coot and CCP4mg packages, from where you may
choose ones that work for you.
5. New distribution mechanism
We hope that you will find our new Download Pages more intuitive and convenient
than before. We have worked hard to improve our Windows installer, to make it
working faster and smoother. On Linux and Mac platforms, we recommend using
Package Manager, a small graphical application that allows you to select the
desired components, and automatically download and install them on your system.
Note that Package Manager features resumable downloads, which may be useful for
users with slow or less reliable Internet connection.
We would like to thank all of the developers who have contributed into CCP4
6.3.0, and all of those who have helped in testing it. The following
publication should be used to cite the use of CCP4:
M. D. Winn, C. C. Ballard, K. D. Cowtan, E. J. Dodson, P. Emsley, P. R. Evans,
R. M. Keegan, E. B.
