[ccp4bb] NIH+DOE request for information for advancing high resolution bioimaging technologies

The LCLS at SLAC National Accelerator Laboratory is reaching out to the biological research community in the context of an NIH-DOE request for information (RFI)

[ccp4bb] Call for submissions of interest in coronavirus research using LCLS

Call for submissions of interest in coronavirus research using LCLS Deadline: 11 May 2020 As part of the Department of Energy Basic Energy Sciences support of research into the COVID-19 pandemic, the Linac Coherent Light Source (LCLS) offers opportunities to study the structure and dynamics of b

[ccp4bb] Test the new sequence and ligand components at PDBe

Dear CCP4BB We are delighted to offer two new components available for beta testing on our PDBe entry pages: the ProtVista sequence component on the PDBe macromolecules pages and the LigEnv component on the ligands and environments pages. The ProtVista sequence view component has replaced o

Re: [ccp4bb] supperpose "to the middle"?

well yes - essentially you first superimpose lobe 1a to lobe1b , then lobe 2a to the superimposed copy lob2b-superposed. The theta phi *chi or omega *angle for the second superstition tells you how rotation there is between the open and closed form. There are various ways to do this - lsqkab in C

[ccp4bb] supperpose "to the middle"?

Hi all, suppose I have a protein made out of 2 lobes that have open and closed conformations. It is currently possible to supperpose the structure on one lobe and visualize the movements undergone by the other lobe. But is there a way to visualize this movement "from the middle", where I can s

Re: [ccp4bb] CCP4 7.1 problems

I met a similar problem when I ran the "Geometry analysis" in coot-0.9. Coot crashed with the following words. I had to roll back to ccp4-7.0. My system is CentOS 7. make_df_restraints_indices() 508 --- terminate called afte

[ccp4bb] summary of replies, superimposition of 3D structures using the dsDNA part only

Dear all, I obtained the following suggestions to my query on the BB (superimposing two protein:dsDNA structures using the dsDNA structures alone for the superposition operation): - Matthias Barone (fmp-berlin) suggested Chimera, with some instructions on "how to do it". He also suggested a

Re: [ccp4bb] AW: [EXTERNAL] Re: [ccp4bb] modelling MET (methionine) and SME (met-sulfoxide)

Hi folks I can’t help feeling that if there are data extending to 0.97Å and there are multiple conformations/multiple components occupying the same region of (real) space/non-unity occupancies, the problem is crying out for SHELXL… Harry > On 27 Apr 2020, at 07:53, Schreuder, Herman /DE > wr