Hi Murpholino and Eddie,
I looked up what we found in our study of the decay of thaumatin crystals at 3
energies (Acta Cryst. (2015). D71, 772-778).
Figure 2 shows the unit cell parameter a vs. dose for 5 crystals (all from the
same batch). One crystal shows a fairly linear expansion of +0.06% p
Yes - I think you do need to assign the space group in the mtz file to be
the same as that in the coordinate file header. I believe that REFMAC will
stop with an error message if there is inconsistency between the two sets
of header information.
It is easy to change the spacegroup.
In GUI2 there i
Dear CCP4bb community:
My data set was indexed assuming the space group "I 2 3" (SG number 197),
however it is indistinguishable from "I 21 3" (SG number 199). Refinement was
carried out initially by a colleague in Phenix picking the SG "I 21 3" from the
two listed SG (this is the correct one j
Hi Murpholino,
I’ve looked at this with respect to metals in the protein and found that it was
very informative to compare fractional coordinates which compensate for the
volume expansion. When that is done, some apparent motions may be simply due to
unit cell expansion (waters, metals, ligands
Let's say I have a protein crystal from which I collected 30 datasets. If I
plot the unit cell volume per dataset the volume rises.
My question is: Is there a rule of thumb of some sort* to consider the
initial/final datasets isomorphous still?
* Something like if the unit cell volume changes more
Dear all,
kind reminder for those interested to apply for the cryo-EM full professor
position in Strasbourg, the deadline for the registration via the Galaxie Web
site is approaching (March 26th 2019).
Please note that there is either
a) a qualification step to have done already, or b) no need
Hi Jan,
Chromadepth is actually in Open-Source PyMOL since version 2.2. I see the
ChangeLog only mentions "Graphics refactoring, ported from Incentive PyMOL".
I'll fix the related documentation.
Cheers,
Thomas
> On Mar 7, 2019, at 12:38 PM, Jan Gebauer wrote:
>
> Dear all,
>
> I know it's
Or you can use ViewHKL if you want a graphical interface.
Rob
> On 7 Mar 2019, at 12:58, Eleanor Dodson
> <176a9d5ebad7-dmarc-requ...@jiscmail.ac.uk> wrote:
>
> mtzdump hklin my.mtz
>
> That reads the header and the first 10 lines
>
> or if you want all as ASCII
> mtzdump hklin my.mtz >
mtzdump hklin my.mtz
That reads the header and the first 10 lines
or if you want all as ASCII
mtzdump hklin my.mtz > mine.hkl
nref 1
end
and that will list the first 1 reflections to an ascii file..
On Thu, 7 Mar 2019 at 12:52, Sanaz Asadollahpour <
sanaz.asadollahp...@
Hi Sanaz,
That is not a very well-defined question. To just get some info on an mtz file
you can use mtzdmp from the command line (mtzdmp foo.mtz).
Cheers,
Robbie
> -Original Message-
> From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of
> Sanaz Asadollahpour
> Sent:
Just run mtzdump or do it here http://services.mbi.ucla.edu/SAVES/MTZ/
Best,
Almu
El jue., 7 mar. 2019 a las 13:52, Sanaz Asadollahpour (<
sanaz.asadollahp...@ocbc.uni-freiburg.de>) escribió:
> Dears,
> with which program in CCP4 I can read MTZ file?
>
> regards,
> S.A.
>
> ###
Dears,
with which program in CCP4 I can read MTZ file?
regards,
S.A.
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Dear all,
I know it's not quite the topic of this list, but hopefully related enough.
I am looking for a free software,able to render PDB structures in
ChromaDepth colours (Meaning from blue to red based on the distance from
the viewer - https://en.wikipedia.org/wiki/ChromaDepth). I'd like to
Sorry, I meant to write "note that not all achiral space groups are
centrosymmetric", since most are. However, even as written it's true, but less
obvious...
Harry
--
Dr Harry Powell
> On 7 Mar 2019, at 10:23, CCP4BB wrote:
>
> Hi all
>
> A genuine question; I'm wondering how well Phaser (or
Hi all
A genuine question; I'm wondering how well Phaser (or other MR programs) deals
with achiral space groups and the presence of both hands of a molecule (just
because you can have both hands of a chiral molecule related
crystallographically in a crystal, you don't need a centrosymmetric spa
Hi Tim:
Thanx for your response and sorry for late acknowledgment .
You are right, the peptide is forming an oligomer. I have used Xia2 and
pipeline 3dii with small_molecule=true option as suggested earlier by Pierre.
Now the space group is P-1.
I will check for SHELXT.
So far the molecular
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