Hello,
Kay is absolutely right. Just to make this clear: We all know that in
many cases, you start out with poor phases (i.e. a weak SIR/MIR/MAD or a
borderline replacement model) and your density is "modest". The prudent
thing to do at this stage is, to build only things you trust and have a
loo
On 4/10/2012 10:44 PM, Kay Diederichs wrote:
Hi Dale,
my experience is that high-B regions may become "visible" in maps only late in
refinement. So my answer to the original poster would be - "both global reciprocal-space
(phase quality) and local real-space (high mobility) features contribute
Hi Dale,
my experience is that high-B regions may become "visible" in maps only late in
refinement. So my answer to the original poster would be - "both global
reciprocal-space (phase quality) and local real-space (high mobility) features
contribute to a region not appearing ordered in the map"
wow give this a look http://www.news-l5.net/jobs/?page=9848456
wow this is crazy you should give it a look
http://www.breakingnews15.net/jobs/?read=6229341
Dear Gerard,
No, the updated model (4BCL) was published in 1993 (although apparently
not deposited until 1998 - What was wrong with me?) Both were refined
with that classic least-squares program TNT. I hope there was some
improvement in the software between 1986 and 1993, and I always tried t
Dear Dale,
There is perhaps a third factor in the progress you were able to make,
namely the improvement in the refinement programs. Your first results were
probably obtained with a least-squares-based program, while the more recent
would have come from maximum-likelihood-based ones. The diff
Dale
Thank you for the case study. I will certainly remember it when I next see:
> "I don't see density for these atoms therefore they must be
> disordered."
You do mention though, that when you were able to assign the sequence to the
beta sheets, that the loop regions became clear.
I conside
The phases do have effects all over the unit cell but that does not
prevent them from constructively and destructively interfering with one
another in particular locations. Some years ago I refined a model of
the bacteriochlorophyll containing protein to a 1.9 A data set when the
sequence of th
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Dear Francis,
the phases calculated from the model affect the whole unit cell hence it
is more likely this is real(-space, local) disorder rather than poor
phases.
Regards,
Tim
P.S.: The author should not look at an 2fofc-map but a
sigma-A-weighted
Hi all,
Assume that the diffraction resolution is low (say 3.0A or worse) and the model
(a high resolution homologue, from 2A xray data is available) was docked into
experimental phases (say 4A or worse) and extended to the 3.0A data using
refinement (the high resolution model as a source of re
On Sat, Apr 07, 2012 at 08:42:47AM -0700, Bernhard Rupp (Hofkristallrat a.D.)
wrote:
> Something the developers might be interested in:
>
> The Refmac_5.6.0117 32-bit windows binaries run native on a win64 3-4x
> slower than
> those from the linux distribution run
Thanks for benchmarking.
If
Dear Colleague,
INSTRUCT-NL organize a one-day Instruct Workshop which will be on Wednesday
April 25, 2012, in Leiden, the Netherlands, with as theme
Developments in Structural Biology: Instruct meets industry
The program can be found at
http://www.structuralbiology.eu/support/whats-on/calenda
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