Re: [ccp4bb] all of a sudden I cannot launch Coot nor ccp4i from the Terminal on my Mac laptop

2021-03-12 Thread Jose A. Gavira
Great news, and great community!!! Big thanks gavi El vie, 12 mar 2021 a las 19:22, Roversi, Pietro (Dr.) (< pr...@leicester.ac.uk>) escribió: > Thanks to all who helped! > > The problems with Coot and CCP41 are solved by downgrading to > https://www.xquartz.org/releases/XQuartz-2.7.11.html > >

Re: [ccp4bb] all of a sudden I cannot launch Coot nor ccp4i from the Terminal on my Mac laptop

2021-03-12 Thread Roversi, Pietro (Dr.)
Thanks to all who helped! The problems with Coot and CCP41 are solved by downgrading to https://www.xquartz.org/releases/XQuartz-2.7.11.html Have a great weekend Pietro Dr. Pietro Roversi, FHEA Lecturer (Teaching and Research) https://le.ac.uk/natural-sciences/ LISCB Wellcome Trust ISSF

Re: [ccp4bb] Can twinning be seen in the diffraction pattern?

2021-03-12 Thread Gerard Bricogne
Dear Marina, Mark seems to have hit the nail on the head. The left-hand picture of your second jpg shows that you have an axis, at about 45 degrees from the horizontal (and hence from the rotation axis), along which the spots are very close. These spots seem to be only just separated on that

Re: [ccp4bb] Can twinning be seen in the diffraction pattern?

2021-03-12 Thread Mark J van Raaij
Hi Marina, The close-together spots in the zoom inset of your figure I think are not split spots, but separate reflections. They are close togeter because you appear to have a unit cell with one axis much longer than the other two (we work on elongated proteins, so we have some experience with

Re: [ccp4bb] Can twinning be seen in the diffraction pattern?

2021-03-12 Thread Sweet, Robert
Dear Marina, When I saw your figures I felt this tug from the deep, dark past. Four decades ago [Fisher, R. G. & Sweet, R. M. (1980). Acta Cryst. A36] Richard Fisher and I were wrestling with a red-algal light-harvesting protein. It made large (0.5mm) nice-looking crystals in R3 (189Å, 189Å,

[ccp4bb] Celebrate PDB50 at the Inaugural May 4-5 Event (Early Registration and Poster Abstracts by March 15)

2021-03-12 Thread Christine Zardecki
Throughout 2021, the wwPDB will be celebrating the 50th anniversary of the PDB archive (http://wwpdb.org/pdb50 ). The inaugural symposium will be held virtually on May 4-5, 2021. The online sessions will take place between 11 a.m. – 4:30 p.m. ET each day. The event

Re: [ccp4bb] AW: [ccp4bb] Can twinning be seen in the diffraction pattern?

2021-03-12 Thread Navdeep Sidhu
Dear Marina, Just to add a couple of points, if you're using a Bruker machine, the programs RLATT can help visualize problem reflections; CELL_NOW is another program that can help. I found XDS to be useful in integration in such cases. You might also like to check out Regine Herbst-Irmer's

[ccp4bb] AW: [ccp4bb] Can twinning be seen in the diffraction pattern?

2021-03-12 Thread Schreuder, Herman /DE
Dear Marina, A lot can happen with twinning andthe crystallization process does not always adhere to rules written in text books. The first thing I would do is to look at the predicted spots to see if the "split" spots are predicted as single spots (and would then really be split), or if they

Re: [ccp4bb] Can twinning be seen in the diffraction pattern?

2021-03-12 Thread Eleanor Dodson
Any twinning is due to overlapping diffraction patterns from two or more different crystal fragments. This means that the "intensity" measured is in fact the sum of two or more different I(hkl) s eg in your case* I(hkl) obs* actually equals *I(h k l ) + sc (I -h -k l)* . The diffraction can look