[ccp4bb] appropriate torsion angles

Hi folks, We are trying to model multiple instances of a small molecule that contains a piperazine ring. I am looking for the appropriate torsion angles that are needed for a cif file in order for the piperazine ring to be able to adopt either a chair or a boat or any combination between the tw

[ccp4bb] jiffy for analyzing spot.xds?

Hi all, I'm trying to diagnose a tricky indexing issue and I suspect the spot picking is poor. Any jiffy's for analyzing the spot.xds file (prior to running IDXREF) ? (like an overlay onto the actual image)? Thanks, F - Francis E. Reyes PhD 215 U

[ccp4bb] OHSU-FEI Symposium: Bioimaging at the Nanoscale

Dear Structural Biology community, FEI Company and the Oregon Health & Sciences University (OHSU) are pleased to announce that registration is now open for the Bioimaging at the Nanoscale Symposium. The symposium will be hosted by the OHSU Center for Spatial Systems Biology and the FEI-OHSU Liv

[ccp4bb] Protein Design position at Monsanto

Friends, Sorry for off-topic posting. My group has a full-time opening in Protein Design, please see the job description below. If you have informal inquiries please contact me directly; however if you wish to apply please use Monsanto Careers website - it is the only way your application may be

[ccp4bb] Fwd: Crystallize proteins with liposomes

My name is Silvina Salinas and I doing my post doctoral research at Universidad Nacional de Córdoba, Argentina. We are studing a protein of 15 kDa with a known crystallography structure. This is a soluble protein, but interact with membranes peripherically. We observed that in the presence of phos

Re: [ccp4bb] alt conformations and solvent structure

Hello Bill, does the 'Alternate location indicator' in the PDB file not fulfill this purpose? If you have conformations A, B, and C for the nucleotide and the solvent molecule associates with conformation B, it should also be in conformation B. I believe at least this is how refmac5 interpretes th

[ccp4bb] alt conformations and solvent structure

Hi folks: Is there a simple way to attach partially occupied solvent sites with a specific conformer when dealing with multiple conformations of side chains or nucleotides, for purposes of PDB deposition? (In this case the resolution is quite high.) Thanks. Bill William G. Scott Contac

[ccp4bb] Postdoctoral Position at AstraZeneca Sweden

AstraZeneca Mölndal have a Post-Doc position available entitled; Structure and function of pseudokinase KSR's allosteric activation of MEK/B-Raf in RAS-ERK signalling Accountabilities/Responsibilities * Conduct structural studies of the KSR complex in the RAS-ERK signalling pathway * Rational

Re: [ccp4bb] Display MTZ header in tooltips in Windows Explorer

Hi Rob, Thank you for that cool tool. Such a thing would be nice to have in the CCP4 distribution (hint!). Cheers, Robbie > -Original Message- > From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of > Robert Oeffner > Sent: Sunday, April 13, 2014 17:11 > To: CCP4BB@JISC

[ccp4bb] PhD Positions: Coherent Diffractive Imaging in Germany

Dear all, Currently we have 2 available PhD positions in our group. If you would like to learn more please visit our website at http://desy.cfel.de/cid/education/doctoralstudies/. The Coherent Imaging Division, an experimental research group within the Center for Free Electron Laser Science

Re: [ccp4bb] regarding TLS records

Hello, how did you produce the PDB file used for submission? I would think that all the common refinement programs do it in a way accepted by the PDB. Did you refine anisotropically? In this case there are no TLS records, but the reply from the annotator tells you that there are very few justific