Hi Ed,
Yes, the entire core line is great for crystallography setups. As has been
mentioned, there are often issues with AMD processors as the occasional binary
that is distributed has been compiled with intel CPU optimizations.
I'm particularly fond of Dell's entry level servers with Quad-cor
A peripheral note: If you plan to use the CPUs for some image recognition
or so using openCV, it and probably some other open source libraries with
intel-connection use the IPP (Intel Performance Primitives) for top speed.
Problems
running on AMD chips have been reported, and my intel executables
On 06/03/10 17:08, Edward A. Berry wrote:
A colleague is interested in purchasing computers for structural biology.
On the CCP4 wiki Kay reports good results with core i7 940 processor
in Dell desktops. Is i7 still a good choice? is it worth upgrading now
to i7 960 (3.2 GHz vs 2.66, for + $467)
A colleague is interested in purchasing computers for structural biology.
On the CCP4 wiki Kay reports good results with core i7 940 processor
in Dell desktops. Is i7 still a good choice? is it worth upgrading now
to i7 960 (3.2 GHz vs 2.66, for + $467) or i7 980 (3.33 ghz and more
L2 cache for +
Dear Nat:
Fixed, and thanks a lot!
Hailiang
> On Thu, Jun 3, 2010 at 10:01 AM, Hailiang Zhang wrote:
>
>> Not sure why, but sometime when I run it, it says
>> "Max nr of points in map :4194304",
>>
>> some other times, it says
>> "Max nr of points in map : 5000".
>>
>> All t
On Thu, Jun 3, 2010 at 10:01 AM, Hailiang Zhang wrote:
> Not sure why, but sometime when I run it, it says
> "Max nr of points in map :4194304",
>
> some other times, it says
> "Max nr of points in map : 5000".
>
> All the runs are on the same machine, and I hope the latter ca
Not sure why, but sometime when I run it, it says
"Max nr of points in map :4194304",
some other times, it says
"Max nr of points in map : 5000".
All the runs are on the same machine, and I hope the latter can happen
more frequently (unfortunately only occasionally:-(.
On Wed, Jun 2, 2010 at 8:04 PM, Hailiang Zhang wrote:
> sigmaa HKLIN in.mtz HKLOUT out-sigmaa.mtz << eof
> title tt
> labin FP=FP SIGFP=SIGFP FC=FC PHIC=PHIC
> labout DELFWT=DELFWT FWT=FWT WCMB=WCMB
> symmetry $spcgrp
> END
> eof
> #
> I think the output
I'm not quite clear what your aim is here, but if you want to reproduce
Wan'g method exactly, DM can't do it as it has a whole lot of more
recent stuff built in (gamma correction, masking algorithms etc).
If you really want to implement Wang's method (and I'm not sure quite
why you would, beca
One or two more comments.
There is a later paper by Andrew Leslie showing that the WANG real space
averaging can be carried out very simply and much faster in reciprocal
space - and this is the method used by all subsequent programs.
density modification using calculated phases is somewhat fr
Thanks to all those who kindly answered my original message, both to the
board and private.
It seems that hollow crystals are rather common and as most people pointed
out, may be due to fast growth.
Indeed, ours grew overnight from a initial screening at room temperature and
with very high protei
Oh dear - I havent used SIGMAA for a long time .
If you use REFMAC to calculate your SFs then it generates FC PHIC and
FOM in the output. That is the easiset approach to getting started..
Isnt there a GUI task to do just this?
Eleanor
Hailiang Zhang wrote:
Hi,
I wanted to do solvent flatten
Postdoctoral positions at Cold Spring Harbor Laboratory (CSHL) are available
immediately for highly enthusiastic individuals with strong interest in
utilizing structural, electrophysiological, and biochemical approaches to study
fundamental problems in ion and substrate transports and enzymatic
Many times.
Jan Dohnalek
On Wed, Jun 2, 2010 at 9:07 PM, Andre Ambrosio
wrote:
> Dear all,
>
>
>
> We have recently obtained crystals from a small protein, and interestingly,
> at least for me, they are hollow trigonal rods (please see pictures
> attached).
>
> Just out of curiosity, has anybody
Dear Andre,
Yes, hollow crystals are not very uncommon. We have recently also solved a
structure at very high resolution using long hollow crystals. Initially the
walls were very thin; we managed to make them thicker (and the hole
correspondingly smaller) by standard fine-tuning of conditions.
Hi Kevin, Paul and others,
On Wed, 2 Jun 2010, Kevin Cowtan wrote:
My understanding from Gerard K is that the next version of the PDB format
will also use unjustified atom names.
Unfortunately, following mmdb, I also backed the wrong horse and assumed
space-padded atom names were here to sta
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