On Thu, Jul 15, 2010 at 01:02:30AM -0400, Hailiang Zhang wrote:
Hi all:
Does CCP4 or Phenix provide any utilities which can summarize the data
statistics (particularly looking for the average Fo_sigma/Fo for each
resolution shell)? Truncate seems to be able to do that but didn't get the
Pointless is used before scaling, and this question is asked after scaling, ie
it belongs in Scala or [c]truncate in the CCP4 context (at present anyway)
Phil
On 15 Jul 2010, at 07:29, Tim Gruene wrote:
On Thu, Jul 15, 2010 at 01:02:30AM -0400, Hailiang Zhang wrote:
Hi all:
Does CCP4 or
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If you were born before the Dutch lost their first World Cup final, you may
remember the days when everybody knew that PDB entry 1tim was the structure
of chicken triosephosphate isomerase, 1hhb was human haemoglobin, 1lyz was hen
egg-white lysozyme, etc. Unfortunately, life for a structural
Gerard DVD Kleywegt wrote:
For a five-minute illustrated introduction to PDBprints (including
instructions on how to include them in your own webpages) point your
browser to:
http://pdbe.org/pdbprints
Good idea.
But the icons for published/unpublished, protein
On Thu, Jul 15, 2010 at 12:20:02PM +0100, Kevin Cowtan wrote:
Gerard DVD Kleywegt wrote:
For a five-minute illustrated introduction to PDBprints (including
instructions on how to include them in your own webpages) point your
browser to:
http://pdbe.org/pdbprints
Good
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Good idea.
But the icons for published/unpublished, protein present/protein absent,
nucleotide present/nucleotide absent and ligand present/ligand absent look
identical to me - I have to read the alt text.
Is there some colour thing going on here
We are pleased to announce the 2010 Cryo-EM Modeling challenge and a PSB 2011
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Kleywegt.
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Cryo-EM
I have trouble distinguishing the green and grey on
my MacBook. Herbert, who is colorblind, can just barely
distinguish that there are two different colors. Note
that 1 of 12 men are colorblind so this is actually quite
common. I would suggest using a pale transparent image
to suggest
Dear Pascal,
be aware that fos-choline detergents are extremely efficient solubilizers of
membrane proteins. We found that even partially aggregated membrane proteins
could be solubilized with fos-choline 12, while this fraction did sediment
using for example dodecylmaltoside (see e.g. fig5
Hi all,
Something wrong has happened when I install arp/warp7.1 in my CentOS
machine. What it told me during the installation is as below:
[r...@lenovo6 arp_warp_7.1]# ./install.sh
ARP/wARP installer is checking your c-shell...
c-shell is installed on your machine at /bin/csh
Your login shell
On Thu, 15 Jul 2010, Tim Gruene wrote:
Maybe icons which are crossed out might be a better solution for the negative
ones.
The problem with this is that X-RAY crossed out suggests no X-rays, i.e.
a non X-ray experiment, not an X-ray experiment for which the structure
factors are
Better still, I can let you see them though my eyes. Here's what the
icons look like to me, and a link to Vizcheck, the tool I used to
generate them:
http://www.ysbl.york.ac.uk/~cowtan/colour/pdb/pdb.html
http://www.vischeck.com/vischeck/vischeckImage.php
Running this in various modes you
There are so many ways to address this issue. Perhaps the simplest would be to
use a combination of dimming and thick, solid borders vs. dashed borders to
distinguish the two states of the icons. Cheers! MM
On Jul 15, 2010, at 9:46 AM, Kevin Cowtan wrote:
Better still, I can let you see them
What would be wrong with WORDS? They were such a clever
invention. I can tell the difference between colors, but it
takes a second step to figure out what they mean anyway. Why
not just write no info over the gray ones? And a 1-word
caption on all the little icons would help, IMHO.
Phoebe
Hi,
I am currently refining some reasonably high (1.4-1.6 Å) resolution protein:RNA
complex structures and was trying the approach described in Schwartz et al.
Nat. Struct. Biol. 8 (2001) 761-765 where they divided each nucleotide into
three TLS groups – the ribose, the phosphorus atom plus
STOP
Hi Pranjal,
you can use POLYGON tool for this:
Crystallographic model quality at a glance.
L. Urzhumtseva, P. V. Afonine, P. D. Adams, A. Urzhumtsev
Acta Cryst. D65, 297-300 (2009)
Essentially, what it does is it compares your structure with all similar
structures in PDB and gives your the
Sorry for a non-ccp4 question.
We have determined a structure which is mainly a coiled coil motif. The
two helices are from the same protein chain linked by a short turn.
However, the SAXS data indicates that this protein is probably natively
unfolded or may have very flexible domains and
Hello Huw,
what happens when you remove the period '.' in the residue range description,
i.e., replace
RANGE 'B 3.' 'B 3.' P
with
RANGE 'B 3' 'B 3' P
?
Tim
On Thu, Jul 15, 2010 at 03:54:45PM +0100, Huw Jenkins wrote:
Hi,
I am currently refining some reasonably high
Hammer time?
On Jul 15, 2010 4:06 PM, Badyal, Sandip K. (Dr.) sk...@leicester.ac.uk
wrote:
STOP
Hi,
Yes, zero origin is a sure sign that it hasn't identified the atoms in
the TLS group.
There is presumably some problem matching atom names, but am not sure
what. If you send me the files, I can have a play.
However, you might have problems with the group definitions anyway. I
seem to
On 15 Jul 2010, at 16:24, Tim Gruene wrote:
what happens when you remove the period '.' in the residue range description,
i.e., replace
RANGE 'B 3.' 'B 3.' P
with
RANGE 'B 3' 'B 3' P
No difference unfortunately.
Thanks,
Huw
--
Dr Huw Jenkins
Astbury Centre for
Rongjin,
With regards to the SAXS part of post: I'm guessing your collaborators are
making this determination from the SAXS data based on a Kratky plot
analysis? Given the inherently low resolution of this technique, it may be
difficult to assign the profile observed to a specific secondary
On 15 Jul 2010, at 16:28, Martyn Winn wrote:
Yes, zero origin is a sure sign that it hasn't identified the atoms in
the TLS group.
There is presumably some problem matching atom names, but am not sure
what. If you send me the files, I can have a play.
I thought that too but if I change the
On Thursday 15 July 2010, Huw Jenkins wrote:
Hi,
I am currently refining some reasonably high (1.4-1.6 Å) resolution
protein:RNA complex structures and was trying the approach described in
Schwartz et al. Nat. Struct. Biol. 8 (2001) 761-765 where they divided each
nucleotide into three
On 15 Jul 2010, at 17:06, Ethan Merritt wrote:
My gut feeling is that the best TLS description would be each base
(or base pair) in its own group, the use TLSMD to analyse and assign groups
for the backbone atoms. But again I have no actual experience with this,
so it's only a suggestion.
Dear Huw,
at 1.4-1.6A resolution I would actually try anisotropic refinement and tighten
the restraints a little in case the resolution is not quite high enough. You
can do this with refmac5, phenix.refine, and shelxl and you would not have to
worry about TLS groups anymore.
Cheers, Tim
On
Refinement with rigid-base TLS parameterization has been previously
explored:
Holbrook, Dickerson, Kim (1985) Acta Cryst B41, 255-262.
(the photocopy is located in the pile of dust that I maintain adjacent
to my desk)
Ethan Merritt wrote:
On Thursday 15 July 2010, Huw Jenkins wrote:
Hi,
Dear CCP4bb,
Can I refine anisotropic ADPs for macromolecule only, while isotropic ADPs
for water, simultaneously in ccp4? I have a 1.1.5 Angs data and when I
refine anisotropically the rfactor/rfree difference is 6. Is it true that if
I could refine the macromolecule anisotropically and the
On Thursday 15 July 2010 09:18:33 am Huw Jenkins wrote:
On 15 Jul 2010, at 17:06, Ethan Merritt wrote:
My gut feeling is that the best TLS description would be each base
(or base pair) in its own group, then use TLSMD to analyse and assign groups
for the backbone atoms. But again I
But of course. This is what mixed refinement is for - the easiest was
to get it to work is probably somehow generating anisou records for all
the atoms and then doing something like egrep -v 'ANISOU|HOH' on the
pdb file. Mixed refinement will then refine only the atoms with
pre-existing anisou
Thank you guys. I will try and let you know if there is a problem. I realy
appreciate your suggestions.
Ivan
On Thu, Jul 15, 2010 at 10:16 AM, Ed Pozharski epozh...@umaryland.eduwrote:
But of course. This is what mixed refinement is for - the easiest was
to get it to work is probably somehow
I like the species icon for 2cbr, human crabp in your list
http://xray.bmc.uu.se/gerard/structures_pdbprints.html.
Is it something from Greek mythology?
From: CCP4 bulletin board [ccp...@jiscmail.ac.uk] On Behalf Of Gerard DVD
Kleywegt
On Thursday 15 July 2010 11:33:30 am Dunten, Pete W. wrote:
I like the species icon for 2cbr, human crabp in your list
http://xray.bmc.uu.se/gerard/structures_pdbprints.html.
Is it something from Greek mythology?
Ah yes, the minotaur genome project.
I like the species icons to some extent,
Does anyone know how to disassemble a P-1 peristaltic pump from
Pharmacia/Amersham/GE?
We have a couple that need simple repairs to either a switch or a rheostat on
the control panel, but I'm stumped as to how to actually get the damn thing
open.
If you've succeeded in doing this, I'd be
Also road signs can be cleverly replaced
inline: attachment.jpeginline: attachment.jpeg
On 15/07/2010, at 16.40, Phoebe Rice wrote:
What would be wrong with WORDS? They were such a clever
invention. I can tell the difference between colors, but it
takes a second step to figure out what they
Fully funded postdoctoral positions at Yale University School of Medicine are
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On 7/13/10 11:05 AM, Daniel Lietha wrote:
Does anyone know if the ZM-M215W and ZM-M240W Zalman monitors work in
3D with Coot and Pymol (would use them on Mac OS10.6)? If so, does the
increased resolution improve things compared to the ZM-M220W?
Thanks,
Daniel
Let me bring back to life the
I find the 22 sufficient if run at highest resolution 1680x1050. If you really
need more space get a second one and run the machine in dual mode. I'm waiting
for Apple to announce finally the new MacPro's to get one of them. It will be
connected to a 24 Cinema Display and a 22 Zalman.
Jürgen
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