Re: [ccp4bb] challenges in structural biology

2019-07-16 Thread John Berrisford
Stating the crystallography is dead might be a bit premature, it is still king for depositions. In 2017 we had a large number of fragment screening experiments deposited. From: CCP4 bulletin board On Behalf Of Nukri Sanishvili Sent: 15 July 2019 23:09 To: CCP4BB@JISCMAIL.AC.UK

[ccp4bb] cannot open NOMAD-Ref server

2019-07-16 Thread 张士军
Dear all Does anyone have used NOMAD-Ref(normal mode analysis, deformation and refinement) server (http://lorentz.immstr.pasteur.fr/nomad-ref.php)? I want to do refinement of my crystal structure, but it cannot be opened when I using "X-ray refinement", the link is

Re: [ccp4bb] challenges in structural biology

2019-07-16 Thread selina.st...@diamond.ac.uk
Hi all, following up on Kay's point, I think it might be worth to discuss what we as a community understand by serial crystallography and what makes it different from multiple crystal crystallography. I recently gave a talk about multiple-crystal and serial crystallography at a course and I

[ccp4bb] Post-Doc at IGS Aix-Marseille University

2019-07-16 Thread Adriana E. Miele
Dear Structural Biologists, I am posting this announce on behalf of my colleague, Dr Chantal Abergel (chantal.aber...@univ-amu.fr), IGS, University Aix-Marseille (France). The IGS laboratory (http://www.igs.cnrs-mrs.fr) is offering 2 Post-doc positions for 1 year, renewable up to 3 years, in

[ccp4bb] PhD or MSc student position in bacterial communication

2019-07-16 Thread Gerd Prehna
The Prehna Lab is looking for enthusiastic MSc or PhD students to join the Department of Microbiology at the University of Manitoba, Canada (https://home.cc.umanitoba.ca/~prehnag/). Our lab studies how bacteria communicate with their hosts, how they communicate with each other, and how they

Re: [ccp4bb] SA_flag vs PDB

2019-07-16 Thread Ian Tickle
Hi Bernhard It has been pointed out to me that my reply was not totally clear on this point, especially to those who haven't followed up the link I sent. By 'output' from a program I mean simply a physical file written when that program is run (i.e. every program has inputs and outputs), so I

Re: [ccp4bb] challenges in structural biology

2019-07-16 Thread Kay Diederichs
Hello James, I like your list, but I wonder how much of this can be covered in meaningful depth during a single GRC. Your item >7) what is the best way to process serial crystallography data? deserves differentiation; there is a huge gap between serial synchrotron crystallography (SSX) with

Re: [ccp4bb] challenges in structural biology

2019-07-16 Thread vincent Chaptal
Hi James, what about the use of highly anisotropic data, what it means in terms of macromolecule arrangement within the crystal, and how to use the data appropriately? An obvious link to item 5) and what resolution is in such case? An opening to item 6) and contribution of solvent as

Re: [ccp4bb] SA_flag vs PDB

2019-07-16 Thread vincent Chaptal
Dear Bernhard, I just went through this process to deposit staraniso-corrected data into the PDB. I wanted to concatenate into a single mmcif the original intensities (so that people can work with unmodified data), the modified ones from SA (so that people can reproduce the refinement), and

Re: [ccp4bb] challenges in structural biology

2019-07-16 Thread Barone, Matthias
Something that pops up here routinely, connected to 5) what does "resolution" really mean?: While new methods are being implemented to improve the accuracy of models or to deal with weak data, how to convince editors to accept the new methods? cheers, matthias Dr. Matthias Barone AG