ARP/wARP suite Version 5.1

[Victor Lamzin <Victor@embl-hamburg.de>]

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      We announce the release of the ARP/wARP suite Version 5.1

         EMBL Hamburg WWW page:   http://www.embl-hamburg.de

        and then on to the Automated Refinement Procedure link

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The Automated Refinement Procedure, ARP/wARP is a program package for 
protein structure refinement and automated model building.

The present release, Version 5.1, can be used in the following ways: 

1. Automatic tracing of the density map and model building 
2. Refinement of molecular replacement solutions 
3. Improvement of MAD and M(S)IR(AS) phases 
4. Averaging of multiple refinements 
5. Building of the solvent structure 
6. Ab initio structure determination for metalloproteins at very high 
   resolution 

The package is compatible to the CCP4 suite (Version 3.5 or later, the
CCP4 homepage http://www.dl.ac.uk/CCP/CCP4/main.html) and requires the 
latter to be installed.

The major updates in the Version 5.1 are:

* The automated scripts are now further simplified and made more
  user-friendly. The main arp_warp.sh script also offers some 
  on-line help and optional command line parameter input.

* The side chain docking module has been massively improved. It now 
  builds all side chains for which the main chain fragment has been 
  docked into sequence. The module automatically chooses the best 
  rotamer and performs real space torsional refinement. The same 
  module can be used as a standalone routine to 'mutate' a molecular 
  replacement model to the 'new' sequence fitting the side chains 
  before the refinement.

* Some annoying bugs have been fixed in the 'reshuffle' module. It 
  can now handle up to 37500 free atoms and more than 20 protein chains.

* Anisotropic scaling is added as a refmac option and is now default
  in all protocoles. Possibility to use HL coefficients instead of FOM
  for phased maximum likelihood, is also provided via the scripts.
 
The distribution suite contains the following:

(1) Shell scripts and pre-compiled binaries for the Irix, Irix64, OSF1 
    and Linux systems. 
(2) Source files for most modules of ARP/wARP
(3) Documentation in postscript and html formats
(4) Examples of ARP/wARP usage

The ARP/wARP package is freely available to academic users.

Industrial users are asked to contact the authors for a license
agreement. 

Users are requested to report any bugs or suggested changes to the 
authors. An Email server is accessible via the ARP/wARP web page.

The former ARP/wARP suite Version 5.0 is no longer available from the
ARP/wARP server.

Victor S. Lamzin, EMBL Hamburg Outstation, E-mail victor@embl-hamburg.de
Anastassis Perrakis, EMBL Grenoble Outstation, E-mail
perrakis@embl-grenoble.fr

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