Re: [ccp4bb] PDB format survey?

2007-08-02 Thread Bernhard Rupp
Hi Joe, as both a contributor to the data and a user of the PDB files, I think you are a bit harsh in the general extrapolation of your frustration with PDB. I have communicated with the PDB folks both at Rutgers and at EBI extensively about many of the shortcomings in both deposition and data

Re: [ccp4bb] PDB format survey?

2007-08-02 Thread Kevin Cowtan
Does it matter what the PDB use? They will export PDB and mmCIF for us to use, so what they use internally doesn't matter. (IIUC the EBI uses SQL). From my perspective as a developer I am not bothered in the slightest whether we use PDB or mmCIF, because I read everything through MMDB which

[ccp4bb] imgCIF workshops at BSR 2007

2007-08-02 Thread Herbert J. Bernstein
Dear Colleagues, The agenda for the imgCIF workshops in conjunction with BSR 2007 in Manchester and at Diamond has been posted at: http://www.medsbio.org/meetings/BSR_2007_imgCIF_Workshop.html We hope you can join us. The BSR 2007 meeting organizers have asked me to urge anyone who

[ccp4bb] Postdoctoral Position for PHENIX development

2007-08-02 Thread Paul D. Adams
=== Lawrence Berkeley National Laboratory Computational Postdoctoral Fellow === Computational Postdoctoral Fellow Job ID:

[ccp4bb] Postdoctoral Position in USC Los Angeles

2007-08-02 Thread Lin Chen
University of Southern California Molecular and Computational Biology, Department of Chemistry, Norris Cancer Center Postdoctoral/Research Associate positions are available for studying the structure and function of receptor-ligand, protein-protein, and protein-DNA complexes involved in

[ccp4bb] Molrep question

2007-08-02 Thread Cynthia Czyrphony
Hi all, I'm using molrep with an MTZ file as input, so according to the manual I should end up with a formatted CIFF file with the F_observed, but I only get a pdb file for the coordinates. Any idea of what I'm doing wrong? Thanks in advance, Cynthia

Re: [ccp4bb] stacking interaction!

2007-08-02 Thread Anthony Addlagatta
Hi Sreeram, Ironically IISc Bangalore, your host institute has the server that exactly does what you want and more! The paper has just been published in the Nucleic Acid Research. Tina KG, Bhadra R, Srinivasan N. PIC: Protein Interactions Calculator. Nucleic Acids Res. 2007 Jul 1;35(Web

[ccp4bb] Biophysicist (SAXS, crystallography) position at LBNL, SF Bay Area

2007-08-02 Thread Amy Pagsolingan
*BIOPHYSICIST* Job # 20882 The Physical Biosciences Division of LBNL is accepting applications for a biophysicist be a part of an interdisciplinary team to help operate, maintain, and improve the small angle X-ray scattering (SAXS) station in the SIBYLS (12.3.1) beamline at the Advanced Light

[ccp4bb] density histogram

2007-08-02 Thread Bernhard Rupp
Dear All - before I code ahead - is there a simple program/script available where I can read in a map and it gives me a basic 1d density histogram (or the tabular data at least) in return? Thx, br - Bernhard Rupp

Re: [ccp4bb] density histogram

2007-08-02 Thread Peter Zwart
Hi Bernard, it this is relatively easy. Copy this text: #phil __ON__ xmanip { input { xray_data { file_name = porin.mtz labels = FOFCWT name = map_coef write_out =False } } parameters { action = *manipulate_miller manipulate_miller { task = *custom