Re: [ccp4bb] Strange Pseudosymmetry Effects

2020-05-27 Thread Ethan A Merritt
On Wednesday, 27 May 2020 18:49:23 PDT Jessica Bruhn wrote: > Hello, > > I am wondering if pseudosymmetry can cause weak reflections that mimic the > doubling of one unit cell axis' length. Has anyone seen something like this > before? Yes. > I am processing data from a small molecule sample

Re: [ccp4bb] Strange Pseudosymmetry Effects

2020-05-27 Thread Petrus Zwart
Hi Jessica, If you see spots and they fit a lattice, you should use them. Use the b=10 solution in P1 that you have with 3 models (or two if one is iffy) and use that as a start model for MR in b=20 and start searching for the rest. Alternatively, use the b=10 model with stuff that looks decent

[ccp4bb] Strange Pseudosymmetry Effects

2020-05-27 Thread Jessica Bruhn
Hello, I am wondering if pseudosymmetry can cause weak reflections that mimic the doubling of one unit cell axis' length. Has anyone seen something like this before? I am processing data from a small molecule sample collected with electron diffraction from multiple crystals. For the b axis, it

[ccp4bb] Map grid passing from ccp4 refmac mask?

2020-05-27 Thread Bernhard Rupp
Dear Developers, I am wondering if there is a way to entice the REFMAC ccp4i input mask to accept and hand-off grid parameters into the subsequently running FFTBIG if I select the 'Generate weighted difference maps' option? Just a convenience issue. I can script it. Also the map file

[ccp4bb] PhD studentship ILL (France) / Keele University (UK)

2020-05-27 Thread Daouda Traore
Hi, An exciting opportunity exists for a PhD student based in the Life Sciences Group (https://www.ill.eu/lsg) at the Institut Laue-Langevin (ILL) in France. The project will focus on structural characterisation of a DNA transfer machinery and is of particular relevance to antibiotic resistance.