[ccp4bb]: New ARP/wARP: version 6

[Anastassis Perrakis <perrakis@nki.nl>]

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Dear all -

We are happy to announce the release of ARP/wARP 6.0

It is available from http://www.arp-warp.org

The main new features include:

*    A GUI fully integrated with CCP4i, which makes usage very easy
(choose an mtz file,
    type the number of residues and press 'RUN' for autotracing) while
giving access to
    a variety of customization parameters for the expert users.

*    Improved tracing algorithms converge 3-5 times faster than version
5.1, and are giving
    promising results down to 2.5 A resolution. Autotracing at
resolution range 2.0-2.5 should
    be now possible, at least starting from very good maps. Please send
feedback/data!

*    Full integration with Refmac5 allows also  to include your
libraries and TLS refinement
    while running ARP/wARP.

*    A GUI for the (improved) side chain building/rebuilding module for
general usage
    is included.

*    OSF1 5.1 and 4.0 (Alpha), Linux (Intel only), MacOS-X and IRIX
(IP32,30,28,19 tested)
    are supported with precompiled executables. The order  these systems
are listed reflects
    the amount of testing and optimisation done in each ... If there is
serious demand for other
    systems (Linux on Alphas ?) please mail us. btw, my slightly-old
Alpha-EV677 Mhz and
    my brand-new P4-1.7 GHz run the 'psp' job equally fast (2hrs for
~500 residues).
    If people want to provide benchmarks for the 'psp' (the distributed
example) with default
    parameters please send me an email and I will put these in our web
page.

*    Protocoles can now include randomisation
(poor-man's-simulated-annealing), solvent flattening,
    etc. Starting from existing models (i.e. from molecular replacement,
manual building) is better
    supported by the scripts/gui. Better error checking ensures
compatibility between arp/warp and
    refmac5 versions, etc.

Please accept our apologies that we do NOT include a manual in the
distributed package.
There is a manual ON-LINE ONLY at http://www.arp-warp.org
The reason for that is that we expect it to be updated frequently to
reflect user input.

The package, naturally, remains free for academic users. During download
however, you will
find a new license agreement. Please examine it carefully, especially if
your (academic) lab
has strong industrial links for some projects. Instructions for
non-academic usage licensing
are on the web.
The software is licensed by the EMBL technology tranfer company, EMBLEM.

Non-academic users within their valid twelve-month update period should
contact
EMBLEM martin.raditsch@embl-heidelberg.de (NOT us) to obtain a 'license
key' for downloading.

Thanks to Garib, P.J. and Liz for the help with Refmac5 and CCP4i
integration.
Thanks to our beta testers for their feedback (especially to Clemens and
Kay).
I (Tassos) want to thank in particular Compaq for their support in
ARP/wARP
development in my lab.

Lots of the developments were partially facilitated thanks to the links
with the AUTOSTRUCT project,
http:/www.autostruct.org

                            Tassos, Peter, Richard and Victor

--
NKI, Department of Molecular Carcinogenesis
Plesmanlaan 121 1066 CX Amsterdam NL
Phone +31-20-512-1951 Fax +31-20-512-1954
SMS: +31-6-28597791 WWW: http://den.nki.nl