[phenixbb] CCP4 6.3.0 released

ronan.keegan at stfc.ac.uk ronan.keegan at stfc.ac.uk
Mon Jul 16 10:51:48 PDT 2012

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:


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:

 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)

 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:


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
- 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).


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. Krissinel, A. G. W. Leslie, A. McCoy, S. J. McNicholas, G. N. Murshudov, N. S. Pannu, E. A. Potterton, H. R. Powell, R. J. Read, A. Vagin and K. S. Wilson (2011) Overview of the CCP4 suite and current developments, Acta Cryst D67 235-242.

CCP4 is supported by the BBSRC UK through grant BB/F0202281, as well as by the number of industrial users.

CCP4 6.3.0 is out now, and we hope that you will find it a helpful advance in crystallographic computing.

Best wishes,

CCP4 Core Team

Scanned by iCritical.

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