Re: [ccp4bb] high z-scores, negative LLG in Phaser

2009-09-18 Thread Randy Read
Dear Sean, What a negative LLG combined with a large Z-score usually means is that the answer is correct, but that the model doesn't predict the data as well as expected. One possible reason is that you told Phaser that the model is better than it really is (e.g. provided identity values

Re: [ccp4bb] I compressed my images by ~ a factor of two, and they load and process in mosflm faster

2009-09-18 Thread Waterman, David (DLSLtd,RAL,DIA)
Just to comment on this, my friend in the computer game industry insists that compression begets speed in almost all data handling situations. This will be worth bearing in mind as we start to have more fine-sliced Pilatus 6M (or similar) datasets to deal with. Cheers, David. -Original Messag

[ccp4bb] lysozyme

2009-09-18 Thread camille shammas
Dear crystallographers, does anyone happen to have a plasmid containing a lysozyme gene (any naturally occurring sequence) that would be suitable for use as a PCR template? We're hoping to use the plasmid for our lunchtime projects club for biology and chemistry A-level students. Many thanks in

Re: [ccp4bb] I compressed my images by ~ a factor of two, and they load and process in mosflm faster

2009-09-18 Thread Graeme Winter
Hi David, If the data compression is carefully chosen you are right: lossless jpeg2000 compression on diffraction images works very well, but is a spot slow. The CBF compression using the byte offset method is a little less good at compression put massively faster... as you point out, this is the

Re: [ccp4bb] lysozyme

2009-09-18 Thread artem
pLysS contains a phage lysozyme. You can get it from any pLysS cells. Ditto pLysE Artem > Dear crystallographers, > > does anyone happen to have a plasmid containing a lysozyme gene (any > naturally occurring sequence) that would be suitable for use as a PCR > template? We're hoping to use the p

Re: [ccp4bb] lysozyme

2009-09-18 Thread Pascal Egea
Hi Camille, I don't know if you have any protein labs around you but if someone is using rosetta or codon-plus type expression Ecoli strains those cells usually contain a plysS plasmid derivative that is chloramphenicol resistant and carries the gene encoding lysozyme among other things (plus the r

[ccp4bb] Job openings for doctoral candidates and postal doctoral candidates in structural virology

2009-09-18 Thread mesters
At the Institute of Biochemistry of the University of Lübeck (Germany), job openings for *doctoral candidates and postal doctoral candidates in structural virology * are available to reinforce the ongoing research projects: 1. Postal-doctoral candidate in crystallography / structural virology

Re: [ccp4bb] I compressed my images by ~ a factor of two, and they load and process in mosflm faster

2009-09-18 Thread Chavas Leo
Dear all -- I cannot remember exactly, but I thought we had a long discussion on the rightness of using compressed images, especially when considering the loss of information while doing so. What was the conclusion of the debate again? (sorry, too lazy to dig in the archives). -- Leo --

[ccp4bb] Format issue with TLSIN/TLSOUT files - probably explains some refmac problems

2009-09-18 Thread Ethan Merritt
Hi all, I have run into an issue that affects a number of CCP4 programs (and my own code as well). The problem Programs that produce TLSOUT descriptions of TLS parameters create a file using the equivalent of Fortran format (9F8.4) Here are two examples: TLS RANGE 'A 209.' 'A 220

Re: [ccp4bb] I compressed my images by ~ a factor of two, and they load and process in mosflm faster

2009-09-18 Thread James Holton
http://proteincrystallography.org/ccp4bb/message2284.html The conclusion was that lossless compression can give us an average of 2.5-fold compression on diffraction images (more if they have no spots) and that lossy compression was something that might anger the caveat gods. -James Holton MAD

Re: [ccp4bb] I compressed my images by ~ a factor of two, and they load and process in mosflm faster

2009-09-18 Thread Ethan Merritt
On Friday 18 September 2009 12:47:20 Chavas Leo wrote: > Dear all -- > > I cannot remember exactly, but I thought we had a long discussion on > the rightness of using compressed images, especially when considering > the loss of information while doing so. > -- Leo -- > > On 18 Sep

Re: [ccp4bb] I compressed my images by ~ a factor of two, and they load and process in mosflm faster

2009-09-18 Thread James Holton
I think it important to point out that despite the subject line, Dr. Scott's statement was: "I think they process a bit faster too" Strangely enough, this has not convinced me to re-format my RAID array with an new file system nor re-write all my software to support yet another new file format.

Re: [ccp4bb] Format issue with TLSIN/TLSOUT files - probably explains some refmac problems

2009-09-18 Thread Dale Tronrud
I think if you are reading a file format which is defined to be fixed fields, you should read it as fixed fields. For better or for worst, the PDB format is defined so that each field has a particular column that it begins on and a column that it ends on. I've looked in the PDB format defin

Re: [ccp4bb] I compressed my images by ~ a factor of two, and they load and process in mosflm faster

2009-09-18 Thread Andrew Purkiss-Trew
The current bottleneck with file systems is the speed of getting data on or off the magnetic surface. So filesystem compression helps, as less data needs to be physically written or read per image. The CPU time spent compressing the data is less than the time saved in writing less data to t

Re: [ccp4bb] Format issue with TLSIN/TLSOUT files - probably explains some refmac problems

2009-09-18 Thread Ethan Merritt
On Friday 18 September 2009 13:40:30 Dale Tronrud wrote: > >I think if you are reading a file format which is defined to > be fixed fields, you should read it as fixed fields. For better > or for worst, the PDB format is defined so that each field has > a particular column that it begins on a

Re: [ccp4bb] Format issue with TLSIN/TLSOUT files - probably explains some refmac problems

2009-09-18 Thread Dale Tronrud
Ethan Merritt wrote: > On Friday 18 September 2009 13:40:30 Dale Tronrud wrote: >>I think if you are reading a file format which is defined to >> be fixed fields, you should read it as fixed fields. For better >> or for worst, the PDB format is defined so that each field has >> a particular co

Re: [ccp4bb] HFS+ compression

2009-09-18 Thread William G. Scott
Dear James and other skeptics, pessimistic nay-sayers, nattering nabobs of negativism, and incorrigible vultures of ill-omen: This sort of compression is a bit different from most, in that is is both lossless and transparent, and it is only possible with respect to the file system (HFS+ in