Re: [ccp4bb] XQuartz and High Sierra OSX

2017-12-01 Thread Ruud Hovius
Hello, I had probelms this week with 1) Pymol 2.0 where clicking on the different  legacy plugins (except lighting) caused shut down of Pymol 2.0 2) CCP4 old style aborted upon re-start-up (which I do far too rarely...). Upon restarting the mac,it appeared that several "Updates" of I do not k

Re: [ccp4bb] new ContaMiner features

2017-12-01 Thread Diana Tomchick
It is also possible that it co-purifies via a nickel IMAC column purification step. The affinity of many E. coli proteins for such columns is well known. Diana ** Diana R. Tomchick Professor Departments of Biophysics and Biochemistry University of

Re: [ccp4bb] new ContaMiner features

2017-12-01 Thread Ivan Shabalin
Dear All, To add my voice to those who wrote crystallization artifacts happen - we just witnessed one today. A postdoc from another lab tried crystallizing a protein for months. Today, during data collection from his poorly diffracting crystals, one of our guys (Dr. Porebski) scaled the data a

[ccp4bb] XQuartz and High Sierra OSX

2017-12-01 Thread Steiner, Roberto
Hi all Since my recent upgrade to High Sierra, XQuartz (most recent version 2.7.11 - fresh installation) does not longer behave properly. Essentially, X11 does not seem to understand touchpad actions (for example cannot close X11 windows, cannot drag them around, etc.). This problems also affec

Re: [ccp4bb] Electrostatic Potential: Poisson-Boltzmann

2017-12-01 Thread Robbie Joosten
If you cannot trust the surface of your protein, perhaps you should not look at the the potential on the surface. Instead you can look at the field around your protein. This is less precise, but also less sensitive to local errors. If you want to know how your peptide finds your protein, this is

Re: [ccp4bb] Do you have this type of diffraction pattern?

2017-12-01 Thread James Phillips
I agree with Roger Rowlett, try a room temp capillary mount. Also ,what is the magnification of the microscope/TV system you are using to center these tiny crystals? Centering the loop is not enough. James Phillips On Fri, Dec 1, 2017 at 8:48 AM, Thomas, Leonard M. wrote: > Looking a bit close

Re: [ccp4bb] Electrostatic Potential: Poisson-Boltzmann

2017-12-01 Thread Dale Tronrud
These are not easy questions to answer. Certainly atoms, particularly ones that are charged, even with fractional charges, have a strong effect on the ESP. If you delete them because you don't know exactly where they are you will get a different answer than if you put them in in some reasonabl

[ccp4bb] Electrostatic Potential: Poisson-Boltzmann

2017-12-01 Thread chemocev marker
Hi I am calculating the Electrostatic Potential of my protein. But there were few flexible region with high B-factor and I deleted that part of the protein and then recalculated it. But there I can see a big change.As I have a structure in the presence and the absence of the peptide and the these

[ccp4bb] -Postdoc Position in Structural Biology at Baylor College of Medicine, Houston, Texas

2017-12-01 Thread Qin, Liying
Dear all, Hello! I am posting a job position on behalf of Dr. Choel Kim. Below is the description for the job. Should you have any question regarding the position, please directly contact Dr. Kim at c...@bcm.edu. An NIH funded postdoctoral research scientist position is available at Dr. Choel

Re: [ccp4bb] Do you have this type of diffraction pattern?

2017-12-01 Thread Thomas, Leonard M.
Looking a bit closer are you sure the crystal is protein? I see a couple of spots which could indicate a small molecule of some variety. Len On Nov 30, 2017, at 3:04 PM, Geny mailto:gzh...@gmail.com>> wrote: ​ Dear EveryOne, ​ ​ I recently tried to collect the diffraction data, but unluckil

[ccp4bb] PhD positions-Structural Biology, Barcelona

2017-12-01 Thread Esther Fernandez
*PhD positions-Structural Biology* We are pleased to inform you that the “*IRB Barcelona International PhD Fellowships Programme 2018”* call is now open. For the 2018-2019 academic year, *IRB Barcelona is offering 10 PhD fellowships, including Structural Biology*, for young scientists from the