Re: [ccp4bb] How to apply correction factors for translational NCS in PHASER?

2013-10-23 Thread Randy J. Read
Hi, If there is more than one strong unique Patterson peak, then Phaser currently doesn't know how to interpret the tNCS. If all the peaks can be interpreted as multiples of one one vector (taking symmetry into account) then you can use the NMOL argument of the tNCS command. Otherwise, you can

[ccp4bb] stereo monitors/MAC

2013-10-23 Thread Adrian Goldman
Hi, Having now had a chance (finally) to play with the Asus VG27A, I can say that (a) it works really well in stereo with both Coot and PyMol and (b) it is easier and nicer to use than the Zalmans. Though the technology is essentially the same (halving the vertical

[ccp4bb] Structural Biology Faculty Position at Purdue University

2013-10-23 Thread Andrew Mesecar
* * Faculty Position in Structural Biology Purdue University The Department of Biological Sciences and the Markey Center for Structural Biology at Purdue University invite applications for a tenure-track faculty position in Structural Biology. We expect to fill this academic-year appointment

[ccp4bb] stereo monitors/MAC (try 3!)

2013-10-23 Thread Adrian Goldman
Hi, (and apologies if ANYONE has seen this twice - CCP4BB rejected my first post as coming from an unknown (i.e. Leeds) address, and the second one because I had already posted from my Leeds address….) Here goes: Having now had a chance (finally) to play with the Asus

Re: [ccp4bb] membrane protein optimization

2013-10-23 Thread Dr. Isabel De Moraes
Dear Frank, It is difficult to say something without the diffraction images but probably they are detergent ( or lipid) crystals. These crystals are in general soft and don't diffract well. My suggestion is to know well what your crystals really are before any optimization. Best, Isabel

Re: [ccp4bb] membrane protein optimization

2013-10-23 Thread Bert Van-Den-Berg
The problem you're having is a very common one, unfortunately. There are about 10,000 things you can try to improve diffractiongenerally going from low to solvable resolution is very, very hard. I would say the two most important ones are (i) to vary the detergent and (ii) to go to another

Re: [ccp4bb] membrane protein optimization

2013-10-23 Thread Susanne Ressl
Hi Frank, unfortunately it is very common with membrane protein crystals to get stuck with diffraction quality around 20A. From what you describe you could consider the following: a) revise the detergent you solubilize your MP with (e.g. use OG instead of DDM), and consider to change to

Re: [ccp4bb] membrane protein optimization

2013-10-23 Thread Daniel Picot
Hi Frank, Do not forget that membrane protein crystals are often fragile and difficult to manipulate. Finding good cryo condition can be difficult and small temperature variation can destroy crystals within minutes, this makes room temperature diffraction tests not always obvious. The time

Re: [ccp4bb] Error with iMosflm 1.0.7 of CCP4 6.4.0 kit

2013-10-23 Thread Harry Powell
Hi David Nothing to do with the iMosflm developers. CCP4 has made some changes that have caused this error to arise in 6.4.0 on Linux (this is not to say that the iMosflm code didn't have the bug, just that it doesn't appear with either our own version or with the same version

Re: [ccp4bb] membrane protein optimization

2013-10-23 Thread El Arnaout, Toufic
Hi Frank, The previous suggestions are great. In my case, I had soft crystals (bend from 180° to ~130-140°) in the loop using the LCP but they still diffracted. There are a lot of heroic stories on how some people solved a structure, you should just try as many ways as possible (do not only

Re: [ccp4bb] membrane protein optimization

2013-10-23 Thread Emmanuel Doh Nji
Dear Frank, Toufic is right. The trick is no trick, you just have to try everything. In my experience if u have a protein crystals in a mild detergent and it is very fragile no point going to a harsh or shorter chain detergent like OG. I got crystals in NM (9 C) and they were fragile and dissolved

[ccp4bb] MacBook Pro graphics card options

2013-10-23 Thread Kristin Low
Hi everyone, Sorry for being a bit off topic, but I thought this group would be great for advice. I’m looking at upgrading my current laptop to a newer MacBook Pro. I’m torn as to whether I need integrated vs discrete graphics for structural biology, including molecular modelling, especially

Re: [ccp4bb] MacBook Pro graphics card options - what about Mavericks?

2013-10-23 Thread Carlos Kikuti
Hi, Can I profit from Kristin's question and add one: is it too soon to know if the crystallography software (CCP4, Coot, Autobuster, XDS) will work fine with Mavericks (Mac OS X 10.9)? (I remember a bit of trouble when Lion came off). Carlos Em 23 oct. 2013, às 22:10, Kristin Low

Re: [ccp4bb] MacBook Pro graphics card options - what about Mavericks?

2013-10-23 Thread Francis Reyes
I'm currently using CCP4/COOT (from the official installer) and autoPROC on Mavericks without any problems. I imagine the rest of the global phasing tools will work nicely. I had issues with fink, you have to use a branch from github as well as manually install and update the Command Line

Re: [ccp4bb] Error with iMosflm 1.0.7 of CCP4 6.4.0 kit

2013-10-23 Thread Andreas Förster
Hi David, I've just renamed the ipmosflm in $CCP4/bin to ipmosflm_new and then defined MOSFLM_EXEC as /path/to/ccp4-6.3.0/bin/ipmosflm. CCP4 6.3 needs to be installed for this to work. Andreas On 23/10/2013 5:39, David Schuller wrote: iMosflm developers: I have installed CCP4 6.4.0,

Re: [ccp4bb] MacBook Pro graphics card options

2013-10-23 Thread Nat Echols
On Wed, Oct 23, 2013 at 1:10 PM, Kristin Low kristin@queensu.ca wrote: I’m looking at upgrading my current laptop to a newer MacBook Pro. I’m torn as to whether I need integrated vs discrete graphics for structural biology, including molecular modelling, especially since the latest