Dear all,
We are happy to announce the release of ARP/wARP version 7.0
Please visit http://www.arp-warp.org for details and software download.
The major improvements are:
• A new module for ultra-fast low resolution tracing of helical and
beta-stranded fragments at resolution down to 4.5 A.
• Improved and faster chain tracing, working at lower resolution than
before, for both 'Classic' and 'flex-wARP' modules.
• Flex-wARP, a control system which automatically defines the sequence
of the steps to be taken during iterative model building.
• Considerably advanced automated ligand building with ~80% success in
site identification and ~70% in ligand constructions.
• An option for ‘cocktail screening’; the most likely ligand is
identified and built from a list of potential compounds.
• Improved fragment sequence docking with empirical targets extracted
from experimental datasets.
• A validation program ElAl (originated from G. Kleywegt) based on
statistical density targets from the EDS implemented in flex-wARP.
• A standalone module for side chain building and refinement.
• A module for building loops between fragments implemented in flex-wARP
and provided standalone.
• The solvent building module with incremental improvements as a
dedicated module.
• Remote job submission at the EMBL Hamburg cluster directly from the
web in addition to the CCP4i GUI.
• Command-line job submission for most ARP/wARP tasks.
• ARP/wARP is now running on Mac powerpc, Mac Intel, some flavours of
Linuxes (i32 and 64-bit ) as well as alpha-Tru64 and mips-IRIX64.
Victor and Tassos on behalf of the ARP/wARP developers' team.
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