Re: [ccp4bb] anisotropic data

Katja Schleider schrieb: Hi everybody, is there a way to improve crystals that diffract strongly anisotropic? We got data between 2.5 and 4.0 A and scala says we should cut these data at 3.9 A. It's such a... I want to solve this structure! greetings Katja Hi Katja, check out http://

Re: [ccp4bb] crystallography teaching advice: f(S) ?

William G. Scott wrote: > Howdie folks: > > I'm preparing my annual X-ray diffraction lectures, and am at the point > where one replaces the atomic scattering factor with the integrated > electron density. > > It has always bothered me how this is a bit obscure, since it really > lies at the hear

Re: [ccp4bb] missing subroutines (fwd)

Apologies for not replying sooner. CCTBX does in fact contain c++ as well as python. But I should have been more careful in my searching, the missing routines are in fact in the x-windows/xdlgjk CCP4 directory. Sorry again for the mistake. Adam On Fri, 2 Oct 2009, Nathaniel Echols wrote: > On

[ccp4bb] pointless, hi and low resolution

Hi there, I am integrating, with imosflm, a datset divided high and low resolution datasets. I first integrated the high resolution one in C2, but after running Pointless it suggested I121. The same happened during the low-resolution data integration, but the cell parameters are slightly diff

Re: [ccp4bb] Mounting needle-shaped crystals

Hi Charlie, The bending of needles is hard to avoid :) My advice is to investigate different areas of the needle using finely focused beam - in particular focus on the protruding end and on the area inside the loop. The protruding area is particularly good since it has the least solvent attached t

Re: [ccp4bb] pointless, hi and low resolution

Dear Ariel I2 (== I 1 2 1) is the same space group as C 2, but with a different setting of the h & l axes. You can use either, or you can force Pointless to choose the C2 setting Best wishes Phil On 6 Oct 2009, at 14:53, Ariel Talavera wrote: Hi there, I am integrating, with imosflm, a

[ccp4bb] Looking for a good review of successful SBDD.

I am looking for a good review on SBDD that includes a few successful attempts. Anyone know one? Thanks, Scott -- Scott D. Pegan, Ph.D. Assistant Professor Chemistry & Biochemistry University of Denver

Re: [ccp4bb] Looking for a good review of successful SBDD.

Scott Pegan wrote: I am looking for a good review on SBDD that includes a few successful attempts. Anyone know one? Williams et al 10.1016/j.cbpa.2005.06.007 Paul.

[ccp4bb] Professor Louis Delbaere

Dear Crystallographic Community, It is with great sadness that I inform you of the passing of Professor Louis Delbaere. Louis passed away suddenly on October 5th in Mississauga, Ontario, Canada while returning home to Saskatoon from an ACA Council meeting in Buffalo, NY. At the end, Louis was surr

Re: [ccp4bb] Mounting needle-shaped crystals

I  must agree that the less stressed part of a needle may be the end not contacting the loop or meniscus, but protrudes out the end/top.  One can carefully manipulate the crystal so that it is not parallel with the pin either by having a bent loop or setting the crystal slightly diagonal to the

[ccp4bb] Update: "Summary for "Anisotropic Diffraction In Refinement" question

Dear All; With regards both to my original question and the recent question by Katja Schleider, I have been told by Mike Sawaya that he has just implemented an option for inputting the B-factor's of your choice to his server (http://www.doe-mbi.ucla.edu/~sawaya/anisoscale/). This option a

[ccp4bb] SA composite omit maps in Phenix

After searching the documentation and archives, I could not find an answer to a question regarding Phenix maps. I am trying to make an Fo-Fc composite omit map of a structure that has the solvent deleted. I want to create a map using Fo-Fc as the coefficient and with composite omit phases.How would

Re: [ccp4bb] SA composite omit maps in Phenix

Hi Jason, I just replied to very similar question to someone in person. Your options are: - all about SA omit maps and more: http://www.phenix-online.org/documentation/autobuild.htm ask Tom Terwilliger should you have any questions. - also, a good thing to check (the best actually; this option

[ccp4bb] Postdoctoral researcher position at SSRL

The Structural Molecular Biology group at the Stanford Synchrotron Radiation Lightsource (SSRL, a division of SLAC National Accelerator Laboratory) at Stanford University has an immediate opening for a Postdoctoral fellow within its Macromolecular Crystallography group. The candidate will work in a

Re: [ccp4bb] crystallography teaching advice: f(S) ?

On Oct 6, 2009, at 1:32 AM, Morten Kjeldgaard wrote: teleports the students across the hermeneutic circle ;-) This seems only appropriate, given that I have to teach the course in a building heavily populated with sociologists. (As a consequence, I recommended the postmodernism generator