On Dec 29, 2009, at 14:54, Phil Evans wrote:
I'd like to thank the ARP/wARP team for the new version, and making
it now accept space groups such as P 2 21 21 ...
Thanks!
... but the Wilson plot test still fails on all datasets, even
really good ones!
Has anyone ever found a dataset that passes their test?
Yep! I have one! Its from 1993, X11 at Hamburg.
Apparently I have forgotten to collect data ever since!
Or my crystals are all ($...@$&^...@%&@$%#&%@&$@).
Besides joking, the Wilson check might indeed be a bit too stringent
(read with British accent please, its an understatement).
I find it useful for one major reason:
I forces me to look at the Wilson plot easily, and compare it to the
'ideal' one, an option that is available in many other places, but not
so often used by many people. This somehow throws it on me every time,
and its a good and easy opportunity to check it. Even if I most often
decide there's nothing wrong with it, its useful to look at.
All these said, after looking at it once for a certain dataset, it can
become slightly irritating, so the Wilson plot check can be disabled
from 'ARP/wARP parameters', and if anyone feels really constantly
irritated by it and cannot stand it, (first consider taking a long
vacation ... its not that annoying) and then edit the file:
$CCP4I_TOP/tasks/arp_warp.def
and change the 'logical' line:
CHECK_WILSON _logical 0
I will not reveal the default in my laptop installation, but lets say
I was in need for long vacation for a while ... which I am sort of
enjoying now, besides the efforts of H1/N1 to facilitate the opposite.
Best wishes to all for the new year!
Tassos
Happy New Year
Phil
On 24 Dec 2009, at 18:29, Victor Lamzin wrote:
Dear All,
We are happy to announce the release of ARP/wARP version 7.1.
Please visit http://www.arp-warp.org for details and software
download.
The major implementations and improvements are:
• A prototype of the molecular graphics ARP/wARP front-end,
allowing the display of molecules and electron densities.
• A prototype version of the new module for building poly-
nucleotides (DNA or RNA).
• Improved and faster protein chain tracing with higher performance
at lower resolution.
• The loop building as well as helix/strand building are now also
inherent parts of protein model building, resulting in enhanced
model completeness.
• Refinement procedures during automated model building have been
enhanced in the new versions of our preferred refinement engine,
REFMAC, notably including the implementation of 'conditional
restraints'.
• Direct use of experimental single-wavelength anomalous
diffraction data (SAD) during model building is now also possible.
• Improved performance of automated ligand building.
• Supported computer platforms are Mac powerpc, Mac Intel and Linux
(including 32 and 64-bit versions and itanium).
Merry Xmas and Happy New Year!
Victor and Tassos on behalf of the ARP/wARP developers' team.
P please don't print this e-mail unless you really need to
Anastassis (Tassos) Perrakis, Principal Investigator / Staff Member
Department of Biochemistry (B8)
Netherlands Cancer Institute,
Dept. B8, 1066 CX Amsterdam, The Netherlands
Tel: +31 20 512 1951 Fax: +31 20 512 1954 Mobile / SMS: +31 6 28 597791
