[ccp4bb] r.m.s.d. ΔB

2015-03-26 Thread Herman . Schreuder
Dear Bulletin Board, A referee wants for the “Table 1” in the supplementary information the following data: The r.m.s.d. ΔB (bonded atoms) (Å2) All protein atoms Main chain – Main chain Side chain – Side chain Main chain – Side chain r.m.s.d. ΔB (Non-bonded contacts) (Å2) All protein atoms

[ccp4bb] PhD positions ITN X-Probe

2015-03-26 Thread Beatrice Vallone
PhD Positions are open in Dynamic crystallography and WAXS in the context of an European Initial Training Network. The PhD will have the opportunity to be in a training and exchange program between leading European Groups in Dynamic crystallography using Advanced Synchrotrons and Free

Re: [ccp4bb] r.m.s.d. ΔB

2015-03-26 Thread Gert Vriend
Ls, I dont think these numbers are useful by themselves. It makes more sense to look at differences in these numbers (between bound atoms in your protein and in 'the rest of the PDB') as function of as many external conditions as statistics allow. Then determine averages with SD, and score

Re: [ccp4bb] CCP4BB Digest - 25 Mar 2015 to 26 Mar 2015 (#2015-86)

2015-03-26 Thread dusan turk
Dear Herman, I am not sure what you really want. Maybe this can help you. You can get the following numbers out of MAIN 1. comparing a pair of selections. It makes sense only if they are equivalent. rms b-val select my_selection_1 end select my_selection_2 end 2. Show command does

[ccp4bb] Vacancy for a scientific database curator at PDBe

2015-03-26 Thread Gerard DVD Kleywegt
Hi all, We are looking to recruit an expert structural biologist (with experience in structure determination) to join the Protein Data Bank in Europe curation team (PDBe: pdbe.org) at the European Bioinformatics Institute (EMBL-EBI, Cambridge, UK) as a Scientific Database Curator. The work