Re: [ccp4bb] Job opportunities with Oxfords Biomedical Research Computing facility

of a week on Monday (18th January). Regards, Robert -- Dr Robert Esnouf University Research Lecturer, Director of Research Computing BDI, Head of Research Computing Core WHG, NDM Research Computing Strategy Officer Main office: Room 10/028, Wellcome Centre for Human Genetics, Old Road C

[ccp4bb] Job opportunities with Oxfords Biomedical Research Computing facility

rapped, why not unwrap your CV and send it in? Informal questions can be directed to me in the first instance or else see the individual job descriptions... Season's Greetings and Best Wishes for a much better 2021! Take care all, Robert Esnouf -- Dr Robert Esnouf University Research Lecturer

Re: [ccp4bb] buying a cluster

they are 250W servers, then you are looking at £8000 per year to power and cool it. The two modern servers will be more like £1500 per year to run. And the servers will only cost about £6000... the economics and planet don't stack up! Just my two penn'th worth -- Dr Robert Esnouf

Re: [ccp4bb] VERY old mtz file..

Without checking further, there is a "dd" option for swapping big-endian to little-endian... swab. This may simply be the issue...  The output of od -x may help decode the header of the file... Regards, Robert -- Dr Robert Esnouf University Research Lecturer, Director o

[ccp4bb] Two high-performance research computing posts in Oxford University Medical Sciences

culate this email to anyone who might be interested and apologies for any cross postings! Regards, Robert -- Dr Robert Esnouf University Research Lecturer, Director of Research Computing BDI, Head of Research Computing Core WTCHG, NDM Research Computing Strategy Officer Main office: Room 10

Re: [ccp4bb] Parallelization?

Python friendly libraries like Boost (http://www.boost.org/) can probably take on much of the hard work for you. -- Dr. Robert Esnouf, University Research Lecturer, Head of Research Computing Core, NDM Research Computing Strategy Officer Room 10/028, Wellcome Trust Centre for Human Genetics

Re: [ccp4bb] New version SHELXL 2016/6 and PDB2INS

obert -- Dr. Robert Esnouf, University Research Lecturer, Head of Research Computing Core, NDM Research Computing Strategy Officer Room 10/028, Wellcome Trust Centre for Human Genetics, Old Road Campus, Roosevelt Drive, Oxford OX3 7BN, UK Email: rob...@strubi.ox.ac.uk / rob...@well.ox.ac.u

[ccp4bb] NEW DEPARTMENT/NEW POST: Head of Research Computing at the Oxford Big Data Institute

about how this role could develop then please drop me an email and I'll try to help. Regards, Robert -- Dr. Robert Esnouf, University Research Lecturer, Head of Research Computing Core, NDM Research Computing Strategy Officer Room 10/028, Wellcome Trust Centre for Human Genetics, Old Road C

Re: [ccp4bb] CCP4BB Digest - 1 Apr 2015 to 2 Apr 2015 (#2015-92)

odern library now. Regards, Robert -- Dr. Robert Esnouf, University Research Lecturer, Head of Research Computing Core, NDM Research Computing Strategy Officer Room 10/028, Wellcome Trust Centre for Human Genetics, Old Road Campus, Roosevelt Drive, Oxford OX3 7BN, UK Email: rob...@strubi.ox.ac.uk

Re: [ccp4bb] Examples of multiple ASU copies with different conformations

If you are including two copies in a single biological complex, then the two halves of the reverse transcriptase heterodimer have dramatically different domain organizations (OK, one copy is truncated - losing one whole domain out of five; PDB codes ad nauseam). Indeed one stretch of sequence at

Re: [ccp4bb] Advise on setting up/ maintaining a Ubuntu cluster

ul over NFS. All these things should be directed at local disks or even ramdisks if possible. Hope this helps, Robert -- Dr. Robert Esnouf, University Research Lecturer and Head of Research Computing, Wellcome Trust Centre for Human Genetics, Old Road Campus, Roosevelt Drive, Oxford OX3 7BN, UK Em

Re: [ccp4bb] apply a spatial transformation on a pdb file n times

the transformation matrix/vector required for each iteration and apply that set to the original coordinates. Regards, Robert -- Dr. Robert Esnouf, University Research Lecturer and Head of Research Computing, Wellcome Trust Centre for Human Genetics, Roosevelt Drive, Oxford OX3 7BN, UK Emails

Re: [ccp4bb] help regarding structure solution

ds, Robert -- Dr. Robert Esnouf, University Research Lecturer and Head of Research Computing, Wellcome Trust Centre for Human Genetics, Roosevelt Drive, Oxford OX3 7BN, UK Emails: rob...@strubi.ox.ac.uk Tel: (+44) - 1865 - 287783 and rob...@esnouf.comFax: (+44) - 1865 - 287547 ---

Re: [ccp4bb] To archive or not to archive, that's the question!

her things like occupancies and B- factors are far more serious concerns... I'm not trivializing the issue, but importance is always relative. Are there "outsiders" on the panel to keep perspective? Robert -- Dr. Robert Esnouf, University Research Lecturer, ex-crystallographer and H

Re: [ccp4bb] Modified residue list

cases you are after it includes names longer than 1-letter which are derived from di-, tri- and tetra-peptides and several "X" residues which have the alpha-amino acid mainchain but sidechains which cannot be considered to be derived from natural amino acids. Hope this helps, Robert -

Re: [ccp4bb] Ken Olsen, Founder of Digital Equipment Corporation, Died Sunday

(DLT) which was so much more reliable than helical scan technologies such as DAT. Digital were even developing the forerunner of the iPod (a hard-disk based MP3 player) back in 1998 before the merger with Compaq. Regards, Robert -- Dr. Robert Esnouf, University Research Lecturer and He

Re: [ccp4bb] protein ligand energy

ell!) but I am not aware they have available scripts. Best wishes, Robert -- Dr. Robert Esnouf, University Research Lecturer and Head of Research Computing, Wellcome Trust Centre for Human Genetics, Roosevelt Drive, Oxford OX3 7BN, UK Emails: rob...@strubi.ox.ac.uk Tel: (+44) - 1865 - 287783 and

Re: [ccp4bb] moelcular replacement with large cell

translation in the native Patterson? That might explain difficulties in solving by MR. Good luck, Robert -- Dr. Robert Esnouf, University Research Lecturer, Head of Bioinformatics and IT, The Division of Structural Biology and The Oxford Protein Production Facility, The Henry Wellcome Building

Re: [ccp4bb] structure <-> function

where the structure (and function) is conserved but sequence has "completely" diverged (<10% identity) are in the "super-evolutionary" viral world. Bamford and Stuart would be the authors to look for here. Cheers, Robert -- Dr. Robert Esnouf, University Research Lecturer,

[ccp4bb] 3D LCD and glasses

? And are there recommendations for appropriate graphics cards? Thanks in advance, Robert -- Dr. Robert Esnouf, University Research Lecturer, Head of Bioinformatics and IT, The Division of Structural Biology and The Oxford Protein Production Facility, The Henry Wellcome Building for Genomic Med

Re: [ccp4bb] My cysteines

For other examples of oxidised cysteines you can look at our venerable series of reverse transcriptase structures... (Stuart, Stammers, Ren, Esnouf and others) residue 280 on the A chain, from memory. Regards, Robert -- Dr. Robert Esnouf, University Research Lecturer, Head of Bioinformatics

Re: [ccp4bb] carving up maps (was re: pymol help)

Having put the "make my density look publishable" (mapcover) command in BobScript, my conscience wouldn't ever let me use it as it gives a false impression of experimental maps! It is useful, though, in a couple of cases: where the map is not representing electron density but calculated from th

[ccp4bb] 2nd EMBO Practical Course on HTP Protein Production & Crystallization, Oxford

ease go to http://cwp.embo.org/pc07-08/index.html for details of how to apply. Regards, Robert Esnouf and Ray Owens -- Dr. Robert Esnouf, University Research Lecturer, Head of Bioinformatics and IT, The Division of Structural Biology and The Oxford Protein Production Facility, The Henry Wellcom