[ccp4bb] New home for Science, Nature, Phys.Rev.B.

Dear All - this is of interest for US Bay Area fellows only: I have about 1 metric ton of Nature, Science, and PhysRevB/PhysRevLetters nicely bound in volumes (about 150 books) to give away. Years about 1989 to about 1998. No warranty re any completeness. Cannot be shipped at a reasonable fee. I

Re: [ccp4bb] Twinned data

If you really have the systematic absences for P41 or P43 then you must have (at least) four molecules in the cell, twinning cannot reduce this. Since a solvent content of 16% is too low, the most likely explanation is that it is not twinned but that the protein is smaller than the one you are ex

[ccp4bb] Job Opening Announcement

Hello All- We have a number of computational chemist and computational crystallographer post doc positions available. One has a significant focus on x-ray refinement method development, and the other one will explore computational chemistry method research and development. We are excited to fil

Re: [ccp4bb] Zalman

Hi Allen: I have a smaller Zalman monitor, but I defined buttons to set the screen size (and toggle stereo) like this: coot_toolbar_button("FullScreen", "set_graphics_window_size(1680,999)", "gtk-network") Making the vertical dimension an odd number seems to be required to ensure that stereo

[ccp4bb] Twinned data

Hi there Just wondering if anyone has any suggestions how I can deal, if possible, with the following situation -. My first encounter with twinned data... which initially indexed as p43/p41 cell dimensions 58.4 58.4 61 90 90 90. Having seen the Matthews Coefficient for the solvent content of th

[ccp4bb] open positions in protein engineering at UCSF

Hi, we are looking for a technician and/or a postdoc with excellent molecular biology skills including PCR/DNA gel/cloning/protein purification and characterization. The ideal candidate is expected to have experience in making DNA libraries in E. coli (>1 million mutants), steady-state fluorescence

Re: [ccp4bb] Zalman

Christian Huebschle, author of the program molecoolqt, has found a simple way for a programmer to make this shifting unnecessary. I forwarded the information to Paul Emsley, but it remains to him to implement it in coot. Tim On Fri, Oct 01, 2010 at 08:57:07AM -0700, Sickmier, Allen wrote: > I re

[ccp4bb] Zalman

I recently got the 24 inch Zalman and when the coot window is maximized the 3D is reversed. I know I can minimize it slightly and move it up and down a pixel to fix it. Has anyone found a trick to leave it maximized and correct the 3D. I have tried adjusting screen position but have not found

Re: [ccp4bb] unknown density

Dear Prescilla, Hermans suggestion look pretty convincing. Try to refine it and see if the difference density disappears. I'd replace the C8 atom with oxygen because you need it to coordinate the magnesium ion. The residue near C11 can also tell you whether that atom chould be polar or not. I'

[ccp4bb] mol rep help needed

Hi all, I'm relatively new to using CCP4 (I've done most of my crystallography using x-plor, phases, etc...). But, I like ccp4, and so I'm using it in concert with amore (which I know is part of the ccp4i build now) for molecular replacement. I have a protein that I'm working on with data c

Re: [ccp4bb] unknown density

Hi Priscalla and Flip, I did not bother to find out what format the maps had, I just loaded them in coot with no problems. I fitted a cyclohexane ring with three atoms attached to it (see attached pdb). It fits quite well, but there are two cautions: 1) it is impossible to deduce the type of atom

Re: [ccp4bb] unknown density

Hi Flip, Following your suggestion, I send the link to download the screenshots of the ligand density: http://twitpic.com/2tn35i Best regards Priscila From: Flip Hoedemaeker [fhoe...@googlemail.com] On Behalf Of Flip Hoedemaeker [f...@formulatrix.com

Re: [ccp4bb] unknown density

Hi, I did a little bit of "modeling" in your density (starting from a nicotinamide ring, the positioned nicotinamide is enclosed). The middle part looks suspiciously like a 6 membered ring. Could it be a molecule in a half-chair conformation? There is only the blob that is perpendicular to th

[ccp4bb] Intensive 2-day School in Biological and Chemical Crystallography

Dear Colleagues, Announcing an intensive 2-day School in Biological and Chemical Crystallography, to be held at the University of Manchester on the 11th and 12th January 2011. Details are to be found at:- http://www.chemistry.manchester.ac.uk/aboutus/events/crystallography/course.html This is in