Re: [ccp4bb] Rfactor got stuck with a data having alternate strong and weak reflections.

2009-09-04 Thread Ben Ammar Youssef
Hi all, I just want to ask another question related to this topic: Based on the example given by Jerry McCully and if the data has alternate strong and weak reflections, how can we split it into two different files; one containing the weak reflections and the other containing the strong

Re: [ccp4bb] Rfactor got stuck with a data having alternate strong and weak reflections.

2009-09-04 Thread Anastassis Perrakis
On Sep 4, 2009, at 11:04, Ben Ammar Youssef wrote: Hi all, I just want to ask another question related to this topic: Based on the example given by Jerry McCully and if the data has alternate strong and weak reflections, how can we split it into two different files; one containing the weak

Re: [ccp4bb] space groups not supported by Refmac5

2009-09-04 Thread Arefeh Seyedarabi
Dear Phil, thank you very much for your thorough clarification. Best regards, Arefeh

[ccp4bb] Using buccaneer on hard problems...

2009-09-04 Thread Kevin Cowtan
Buccaneer is giving good results on a lot of cases now, and can work at resolutions down to ~3.7A when the phases are very good. However, when the starting phases are poor, it struggles. I've recently been analysing some of the hard cases from my test data - in particular one case at 3.0 and

Re: [ccp4bb] Rfactor got stuck with a data having alternate strong and weak reflections.

2009-09-04 Thread Ben Ammar Youssef
One paper in Acta. Cryst. (2006) D62, 1369-1374 described the same problem of pseudo-symmetry. To lower the Rfactor they used (h+k+l=2n+1) odd reflections for rigid body refinement and (h+k+l=2n) even reflections for restrained refinement. By this way they could decrease R/Rfree from

[ccp4bb] superposition server somewhere in Canada

2009-09-04 Thread Vellieux Frederic
Dear subscribers to the CCP4BB, On my previous computer, I had in my bookmarks (Firefox bookmarks) the URL for an automatic 3D structure superposition server based some place in Canada. Unfortunately that computer crashed and I lost all my bookmarks. What was nice was that one could simply

Re: [ccp4bb] superposition server somewhere in Canada

2009-09-04 Thread Jürgen Bosch
google for Tcoffee or EBI SSM, same functionality Jürgen On Sep 4, 2009, at 9:40 AM, Vellieux Frederic wrote: Dear subscribers to the CCP4BB, On my previous computer, I had in my bookmarks (Firefox bookmarks) the URL for an automatic 3D structure superposition server based some place in

Re: [ccp4bb] superposition server somewhere in Canada]

2009-09-04 Thread Vellieux Frederic
---BeginMessage--- Thanks to all who replied. Using a carefully worded search in google I was able to locate (again) that server's URL Just in case some of you are interested, here's the URL http://wishart.biology.ualberta.ca/SuperPose/ Thanks again, Fred. Jürgen Bosch wrote: google for

[ccp4bb] Temporary Postdoctoral Research Scientist at AstraZeneca, Alderley Park

2009-09-04 Thread Hargreaves, David
Dear CCP4bb, I like to take this opportunity to draw your attention to the following role (below). Please follow the link to the AstraZeneca web site (job search DECS156) for more details and application forms. (please don't apply via this email!) David Hargreaves

Re: [ccp4bb] superposition server somewhere in Canada

2009-09-04 Thread Toufic.ElArnaout
Hi Frédéric, I think it is Superpose: http://wishart.biology.ualberta.ca/SuperPose/ Good luck! * Toufic El Arnaout Membrane Structural Functional Biology Group L2-007, Lonsdale Building University of Limerick, Ireland

Re: [ccp4bb] Rfactor got stuck with a data having alternate strong and weak reflections.

2009-09-04 Thread Jerry McCully
From: for-crystallizai...@hotmail.com To: yous...@ri.ncvc.go.jp Subject: RE: [ccp4bb] Rfactor got stuck with a data having alternate strong and weak reflections. Date: Fri, 4 Sep 2009 07:36:34 -0700 Dear ALL; I am sorry for being silent because I went out of town for a

[ccp4bb] Postdoctoral researcher at SSRL/SLAC, Stanford University

2009-09-04 Thread Hiro Tsuruta
Postdoctoral researcher in biological small-angle x-ray scattering at the Stanford Synchrotron Radiation Lightsource (SSRL) The Structural Molecular Biology group at SSRL, a Directorate of the SLAC National Accelerator Laboratory has an immediate opening for a postdoctoral researcher to join

[ccp4bb] Peristaltic pump for affinity chromatography

2009-09-04 Thread Michael Hothorn
Dear all, sorry for the off-topic question. I want to buy a simple peristaltic pump to apply larger sample volumes (300-500 mL) to simple affinity columns (desired flow-rates: 2-8 mL/min). I was wondering whether the (good?)-old Pharmacia/GE P1 pump still represents the best system engineers

Re: [ccp4bb] Problem in MAKE_U_POSITIVE

2009-09-04 Thread Bernhard Rupp
This is interesting. Would it be possible to have refmac provide some info WHICH U (i.e. atom) got negative EV ? I did not find anything and I use monitor many per default. Thx, BR -Original Message- From: CCP4 bulletin board [mailto:ccp...@jiscmail.ac.uk] On Behalf Of Aaron Oakley Sent:

Re: [ccp4bb] Devices Suitable to Concentrate Protein Solutions in Liter Scale

2009-09-04 Thread Radovan Spurny
Stirred cell from Milipore is very useful for concentrating big volumes of protein solution. There are cells from 3 to 400 mL. Ultrafiltration is performed through the membrane with high pressure by connecting to inert gas (nitrogen). It is very fast and comfortable technique. Here are more

Re: [ccp4bb] best linux for laptops?

2009-09-04 Thread Bernhard Rupp
Dear All, the overwhelming consensus is ubuntu, largely for wide variety of drivers incl. wireless and nvidia (which I can confirm was a *...@%! nightmare under RH) Partition Magic got high recommendations for dual boot. Thx to all for the quick response. BR

Re: [ccp4bb] best linux for laptops?

2009-09-04 Thread Tim Fenn
On Fri, 4 Sep 2009 14:57:21 -0700 Bernhard Rupp b...@ruppweb.org wrote: Dear All, the overwhelming consensus is ubuntu, largely for wide variety of drivers incl. wireless and nvidia (which I can confirm was a *...@%! nightmare under RH) Just to clarify, most drivers are available for

Re: [ccp4bb] superposition server somewhere in Canada

2009-09-04 Thread Dr.K.Sekar
Hi, We have a server for structural superposition. http://cluster.physics.iisc.ernet.in/3dss/ thanks, Sekar Hi Frédéric, I think it is Superpose: http://wishart.biology.ualberta.ca/SuperPose/ Good luck! * Toufic El Arnaout Membrane Structural

Re: [ccp4bb] best linux for laptops?

2009-09-04 Thread William G. Scott
recent versions of ubuntu come with gparted on the install disk, so you can repartion with a gui whose iCandy quotient is almost mac- like. It makes it very simple to do, even for an idiot like me. I am a big fan of xfce4 (install Xubuntu). It makes very low demands on the hardware and