Re: [ccp4bb] Anisotropic Scaling

2018-01-13 Thread Gerard Bricogne
Dear Liang, In this case I cannot refrain from mentioning the STARANISO server at http://staraniso.globalphasing.org/ It offers a certain amount of background explanations, with a didactic aim, that hopefully will help you understand what it does and what its results provide yo

Re: [ccp4bb] Anisotropic Scaling

2018-01-13 Thread Jacqueline Vitali
There is an anisotropy server from ucla that I think you can use over the internet, Just google it and try it to see if it helps with your data. I think the data is better afterwards, Jackie Vitali Cleveland State University On Sat, Jan 13, 2018 at 5:53 AM, Zhang Foggy wrote: > Dear Crystallo

Re: [ccp4bb] "Atomic resolution"

2018-01-13 Thread Robbie Joosten
Hi Ivan, I agree that the Hamilton test is quite useful in this context. We added it in PDB-REDO quite a while ago (http://www.cmbi.ru.nl/pdb_redo/reprints/CCP42011.pdf). Since that paper we have learned that at 18 reflections/atom is not enough to consistently pass the Hamilton test. We cur

[ccp4bb] Postdoctoral positions available

2018-01-13 Thread Barondeau, David P
Postdoctoral positions are available immediately in the Barondeau lab at Texas A&M University investigating structure-function properties of the mitochondrial iron-sulfur cluster biosynthetic complex. This project has components of structural biology, bioinorganic chemistry, enzymology, and che

Re: [ccp4bb] BUCCANEER label choose

2018-01-13 Thread Eleanor Dodson
Well - this is a pipeline where cycles of rebuilding are followed by cycles of refinement. The Freer is used during refinement - this is always a good idea - but you need to name the FreeRflag column. I think there is a default The selection "use map coefficient" and "use PHI/FOM instead of HL coe