[ccp4bb] Royal Institution Lecture

2013-11-03 Thread Curry, Stephen
I hesitated to post this because crystallography is meat and drink to people around here, but in case it might be useful for teaching, here is the video of a lecture I gave on X-ray crystallography at the Royal Institution on Friday 25th October. Warning: it lasts a full hour!

Re: [ccp4bb] Royal Institution Lecture

2013-11-03 Thread Dr. Isabel De Moraes
Dear Stephen, Many thanks for this post. The lecture is really great, I would recommended it to all interested in the field (from beginners to seniors). Best, Isabel Dr Isabel De Moraes, MRSC Membrane Protein Laboratory

[ccp4bb] LSQKAB with trajectory files

2013-11-03 Thread Carter, Charlie
I've just tried to use LSQKAB to transform an entire trajectory file that is a pdb file with ENDMDL cards between models to a new orientation for the purpose of making use of work with the new orientation. LSQKAB returns with an error: *** RWBROOK error: point code unitfunction ***

[ccp4bb] השב: [ccp4bb] LSQKAB with trajectory files

2013-11-03 Thread Boaz Shaanan
Hi Charlie, one possible way of doing this is through UCSF-Chimera. It'll read each of the models into a different slot, then you can apply the transformation you choose to each of the models. I think I'm right. The Chimera support team may help you figure out how to do this in one go. Best

Re: [ccp4bb] [phenixbb] Appropriate number of reflections for FreeR

2013-11-03 Thread Mark van Raaij
But at higher resolution you would like to release the restraints and introduce more parameters in refinement, such as anisotropic Bs - ideally keeping the observation/parameter ration more or less constant... On 3 Nov 2013, at 12:50, Edward Berry wrote: Looking at it from the other side-

Re: [ccp4bb] [phenixbb] Appropriate number of reflections for FreeR

2013-11-03 Thread Edward A. Berry
Agreed. I was not entirely serious but just trying to present a diametrically opposed viewpoint. A middle of the road approach would be to say the additional reflections could benefit either refinement or ML (and maybe the two are not really separate since ML guides the refinement), and so

[ccp4bb] SA-omit map

2013-11-03 Thread dengzq1987
Dear all, Recently, I received the comments from referees, they asked for the SA-omit map of the ssDNA of our protein-DNA complex. They said that simulated annealing omit map better than a biased 2Fo-Fc. The ssDNA consists of seven thymidine nucleotide. Our data diffracted to 2.65A,but the