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 Campus

[ccp4bb] Job opportunities with Oxfords Biomedical Research Computing facility

descriptions... Season's Greetings and Best Wishes for a much better 2021! Take care all, Robert Esnouf -- 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

Re: [ccp4bb] buying a cluster

? If 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 University

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

-- 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 10/028, Wellcome Trust Centre for Human Genetics, Old Road Campus, Roosevelt Drive, Oxford OX3 7BN, UK Emails

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

-- 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.uk Tel

[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 Campus

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

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 / rob

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

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

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 Emails: rob...@strubi.ox.ac.uk Tel: (+44) - 1865

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

-- 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 Original

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

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 Head of Research Computing, Wellcome Trust Centre for Human Genetics, Roosevelt Drive, Oxford

Re: [ccp4bb] Modified residue list

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 -- Dr. Robert Esnouf

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

) 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 Head

Re: [ccp4bb] protein ligand energy

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 rob...@esnouf.comFax: (+44

Re: [ccp4bb] structure - function

of 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, Head of Bioinformatics

[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 Medicine

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 the

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

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 Wellcome Building