[ccp4bb] Post-doc vacancies in London

The Institute of Cancer Research (University of London) Section of Structural Biology Chelsea, London Post-doctoral Training Fellows Structural Biology of proteins involved in DNA repair Postdoctoral positions are available to join a team in the laboratory of Prof. Dale Wigley, FRS, who has rec

[ccp4bb] .cv to .mtz conversion

Hey I have a problem with converting a CNS created file in .cv format to .mtz for use in CCP4. I suspect it is because the Fortran model and the column labels are incorrect but I have no idea how to fix this. Here are the first few lines of the .cv file: ##

Re: [ccp4bb] .cv to .mtz conversion

ccp4i Reflection Data Utilities Convert to/modify/extend MTZ Input reflection file is in XPLOR/CNS format etc Fortran format (7X,3I5,6X,E12.4,7X,E12.4,6X,I2) Skip first 6 lines (if # is part of the .cv file) [I think, I have counted the space before the INDEx for example giving me

Re: [ccp4bb] .cv to .mtz conversion

You could try: convert2mtz -hklin my.cv -mtzout my.mtz -cell 30.0,40.0,50.0,90.0,90.0,90.0 -spacegroup 'P 21 21 21' Marni Williams wrote: Hey I have a problem with converting a CNS created file in .cv format to .mtz for use in CCP4. I suspect it is because the Fortran model and the colum

Re: [ccp4bb] .cv to .mtz conversion

We recently had this problem in our lab. No matter what we tried, we could not get convert2mtz (or any other program) to work properly. We were probably doing something wrong with the fortran? Depending on how far along you are, you can try using phenix.refine. Just input your model and

Re: [ccp4bb] .cv to .mtz conversion

We recently had this problem in our lab. No matter what we tried, we could not get convert2mtz (or any other program) to work properly. We were probably doing something wrong with the fortran? Depending on how far along you are, you can try using phenix.refine. Just input your model and

Re: [ccp4bb] .cv to .mtz conversion

Look up fortran formatting via google, it's all there. You have to enter the fortan format to match the format of the cv file. Conceptually something like: 3F3.0, 14X, F10.3, 12X, F10.3 which means Three fields with values to import, each of three columns with no decimal points skip 14 columns O

Re: [ccp4bb] .cv to .mtz conversion

You can use the command sed -e "s/INDEx\(.*\) FOBS= \(.*\) SIGMA= \(.*\) TEST=\(.*\)/\1 \2 \3 \4/g" file.cv > file.hkl in order to get rid of all the words and convert the file into a simple hkl-file. After removing the header you can use f2mtz to convert it to an mtz-file. Make sure that you DO

Re: [ccp4bb] .cv to .mtz conversion

Hi, There are 2 basic ways of approaching this problem: the good and the bad (I won't even mention the ugly!). The bad ways all involve counting columns and working out Fortran formats. This is because it cannot be safely assumed that the file has been written with fixed length records, which is

[ccp4bb] Lousy diffraction at home but fantastic at the synchrotron?

Hi all I'm interested in the scenario where crystals were screened at home and gave lousy (say < 8-10A) but when illuminated with synchrotron radiation gave reasonable diffraction ( > 3A) ? Why the discrepancy? Thanks F - Francis E. Reyes M.Sc.

Re: [ccp4bb] Lousy diffraction at home but fantastic at the synchrotron?

I find this interesting as well, mainly because I have never seen this myself and I have looked at plenty of badly diffracting crystals. In my hands, synchrotron data at most end up being ~1.5 angstrom better in terms of resolution than the same crystals on our home source. I'm wondering if this

Re: [ccp4bb] Lousy diffraction at home but fantastic at the synchrotron?

On Tuesday 28 September 2010 10:27:17 am Francis E Reyes wrote: > Hi all > > I'm interested in the scenario where crystals were screened at home > and gave lousy (say < 8-10A) but when illuminated with synchrotron > radiation gave reasonable diffraction ( > 3A) ? Why the discrepancy? Such a h

Re: [ccp4bb] ? steps after detwinning

@R.Brown I regret to say that I can't tell what the actual translation is but regarding no. of monomers/asu,I got three non-overlapping monomers.My problems are - 1.actual space-group is not clear yet. 2.no. of monomers/asu ? 3.how to proceed with the technique where data having pseudosymmetry & tw

Re: [ccp4bb] Lousy diffraction at home but fantastic at the synchrotron?

Often this reflect crystal size - a small crystal in a big beam (or one with a long path in air) on a home source would see the small diffraction signal drop below the noise level quite quickly - often at the low resolution intensity dip that sits very approximately around 6 Angstrom. On a syn

[ccp4bb] >> X-FELs and biology

X-ray free electron lasers (X-FELs) offer the potential to be high-impact tools for research in biology, chemistry, physics, and materials sciences. With FLASH and the LCLS now in operation and producing scientific results, and with a number of future X-FELs under construction and development in

[ccp4bb] >> X-FELs and biology

X-ray free electron lasers (X-FELs) offer the potential to be high-impact tools for research in biology, chemistry, physics, and materials sciences. With FLASH and the LCLS now in operation and producing scientific results, and with a number of future X-FELs under construction and development in

[ccp4bb] Beamline Scientist Position at SLS

Beamline Scientist Protein crystallography beamline at Swiss Light Source (SLS) Your tasks The undulator beamline X06SA comprises two complimentary endstations, a high resolution and a micro-diffractometer. In order to fully exploit the potential of both diffractometers with advanced pixel d

[ccp4bb] Protein crystallography Postdoc Position at SLS

Postdoctoral Fellow In Protein Crystallography Your tasks With stable light source, flexible optics, multi-axes goniometer (PRIGO), and advance pixel detector (PILATUS) at SLS PX beamlines, this postdoctoral position offers you an unique opportunity to develop smart diffraction data collecti

[ccp4bb] Protein Engineering position at Zymeworks (Vancouver, Canada)

Dear CCP4bb, Structural biologists or modellers who are driven towards understanding structure/function relationships are sought to expand our team of protein engineers. Zymeworks (Vancouver, Canada) is a growing biotech company, that is using and developing computational tools for the rational d

[ccp4bb] Pittsburgh Diffraction Conference Oct 27-29

This is a reminder that the 64th Annual Pittsburgh Diffraction Conference will be in Pittsburgh Oct 27-29 at the Holiday Inn University Center. Registration and program information can be found at: www.pdc2010.net Joseph D. Ng Associat

Re: [ccp4bb] ? steps after detwinning

@R.Brown I've already tried POINTLESS but due to some reasons it failed and it isyet to be fixed.I've used SFCHECK which shows the PST vectors.I'm alreadyusing PHASER with "all choices of alternative space groups". N.B.:I've mailed you twice but each time the mail is undelivered.