Hi,
you should be able to run the programs you mention on any of the
mainstream Linux distributions, especially when you are not scared
installing some extra bits and pieces. One of the main nuisances I met
recently is the requirement of libg2c for Fortran programs compiled with
g77 and
Hi,
This is one table (below) I use to convince my students that Evdw is
still negative when R/Rm = 2, where Rm = Ri + Rj.
To take into account water screening effect, however, one should
consider vdw attraction only while R Rm + 2 x Rw,
where Rw is the radius of water.
hth,
Nadir
**
**
Several times I have heard that low order (small angle) reflections
are more important when solving low-resolution structures. I presume
it is more than just a question of obtaining greater number of
reflections.
Does anyone know why low-order reflections are so important in these
Hi everyone,
I got good data to 2.4A on a protein-ligand complex. I want to solve the
structure by MR using a model with 45% seq. ID and 55% similarity.
Initially the data appeared to be P622 (pointless, selfrotation function
etc). Unit cell: 145 145 65, MW protein is 28kDa
I prepared the MR
Hi Sabine,
If your question is: Is it possible to refine twinned structures with
Refmac?
My answer is: Yes. Very well.
Best wishes,
Roberto
On 20 Feb 2009, at 16:32, Sabine Schneider wrote:
Hi everyone,
I got good data to 2.4A on a protein-ligand complex. I want to
solve the
structure
Here is the original article.
Distinction between the weak hydrogen bond and the van der Waals
interaction
Thomas Steiner*a and Gautam R. Desiraju*
Chem. Commun., 1998 891-892
On Thu, Feb 19, 2009 at 11:27 PM, Pius Padayatti ppadaya...@gmail.com wrote:
Table 1 Numerical data for X–H···Y contacts
I used phenix to assign the free reflections putting in the twin
operators. Doing simulated annealing in phenix, I get a rather large
difference in R/Rfree of ~7%. Well, I guess I need to do some tweaking of
the parameters in phenix (running the latest phenix and cci_apps). When I
than use
Dear Richard,
the low resolution reflections are important for any data set,
whether this is a high or medium resolution data set: they describe
features corresponding to the size and global position of the
crystallized molecule. That's why they are important for molecular
replacement, for
We were collecting information on computer platforms that people would
like ARP/wARP to run on.
126 people responded with 296 platform choices. The latter grouped as
follows:
Linux i686 26%
Linux x86_64 24%
Linux ia644%
total Linux54%
Mac powerpc 9%
Mac Intel
I made a movie demonstrating the effect of leaving out low-res data on
an electron density map once:
http://bl831.als.lbl.gov/~jamesh/movies/index.html#lores
But it is interesting I think that the brightest reflections are
actually what is important. Yes, the average spot intensity increases
On Feb 20, 2009, at 2:58 PM, James Holton wrote:
I made a movie demonstrating the effect of leaving out low-res data
on an electron density map once:
http://bl831.als.lbl.gov/~jamesh/movies/index.html#lores
Very cool movie.
Many thanks to those who answered my original question by private
Sent on behalf of Sacha Urzhumtsev:
Dear Richard,
I answer to the whole CCP4bb since the question was quite general and
the answer may
be interesting for other people.
As already mentioned by Bruno Klaholz, low-resolution reflections are not
only a few reflections more but they contain
I agree with Pavel and would add that we have frequently found that
collecting low resolution data on a home source and then merging it
with the higher resolution synchrotron data collected subsequently
from the same crystal can work wonders. The home source data tend
to be missing fewer
Regarding the merging of regular datasets and low-res ones, what is the
proper thing to do? Merging both complete datasets no matter what or cutting
out the low-res data of the regular dataset? I.e. if the low-res data is not
correctly measured in one dataset, would merging all data not be
Hi everyone!
I have a question on my poor MIR map.
Four datasets (two AU and two HG) were used for phasing upto 3 A resolution
in my case. I could locate several heavy atom sites for each dataset with
occupancy finally refined to about 0.3 to 0.4, and with B value refined to
about 50 to 80. I did
15 matches
Mail list logo
