Re: [ccp4bb] A polite reminder to xia2 users

2015-11-06 Thread Sanishvili, Ruslan
Perfect segue to bring us back to the origin of this thread. Graeme was reminding the users of Xia2 that Xia2 was using other software for data analysis and that other software to be credited as well. Indeed, when we extract "Xia2 has been used for PDB files reported in X high-impact publicatio

Re: [ccp4bb] AW: [ccp4bb] AW: [ccp4bb] Diffraction as a Single-Photon Process; was RE: [ccp4bb] Twinning Question

2015-11-06 Thread Ethan A Merritt
On Thursday, 05 November, 2015 23:32:09 colin.n...@diamond.ac.uk wrote: > For scattering from a single electron isn't there a 180 degree phase change > between the incident and scattered wave? I don't see how to fit that into the context of diffraction from a crystal. It gets right back to the

[ccp4bb] alternative side chain locations

2015-11-06 Thread Oganesyan, Vaheh
Colleagues, Working at relatively high resolution of 1.5A allows in some cases seeing alternative positions of side chains. After placing those in the coordinate file with occ adding to 1.0 and running refinement (latest REFMAC on Win) I find that occupancies of all atoms in the specific residu

Re: [ccp4bb] A polite reminder to xia2 users

2015-11-06 Thread Michel Fodje
Hardware: Say I do a lot of screening on Beamline A (many hours used), collect a low resolution anomalous dataset on Beamline B, which helps me to solve the structure, then I collect a high resolution native dataset on Beamline C (in just a few minutes) for refinement and model building. Many pe

Re: [ccp4bb] A polite reminder to xia2 users

2015-11-06 Thread Graeme Winter
Dear All, Slightly ignorant and certainly oblique question perhaps, but are there still journals out there which limit the number of references allowed? This used to be a “reason” people would use for not properly citing all of the resources they used in arriving at the results included in the