[ccp4bb] Multiple structure alignment and citing CCP4bb

2012-05-14 Thread Naveed A Nadvi
Hello everyone, I was wondering if there is any software out there that can be used for multiple structure superimposition and output some graphical plot of residues based on their deviation from the reference molecule. I want to highlight how entire residues undergo conformational change in th

[ccp4bb] Off topic about program for multiple protein sequence alignment

2012-05-14 Thread wu donghui
Dear all, I want to know your suggestions about current protein sequence alignment programs. It seems that different programs give different alignment results such as from analysis of Clustal W and MULTALIN. Thanks for any input or comments. Best regards, Donghui

[ccp4bb] dm: Error in opening input map file.

2012-05-14 Thread Yu Feng
Dear CCP4ers, I have a problem when I use DM to do NCS averaging. If I input 9 NCS averaging masks, DM works OK. However, if I input 10 NCS averaging masks, DM can not open input map file. The masks should be OK because they are generated by the same method. Do you have any idea how to solve the p

[ccp4bb] Postdoc position at UC-Davis (Al-Bassam lab)

2012-05-14 Thread Jawdat Al-Bassam
Dear Colleagues, A postdoctoral position is available in the Al-Bassam Laboratory at UC-Davis, studying the structural basis of tubulin assembly and disassembly regulators into dynamic microtubules. Our laboratory focuses on combining Structural biology and Single molecule biophysics approach

Re: [ccp4bb] how to ignore spot overlap in imosflm?

2012-05-14 Thread Yuri Pompeu
I think "IGNORE" is the wrong word here, but as many have pointed out, you may be able to deal with this situation. Besides the many good tips that been given, I think EVAL15 (I started reading the paper on it) should be able to deal with some overlaps pretty succesfully. I don't know where the

Re: [ccp4bb] how to ignore spot overlap in imosflm?

2012-05-14 Thread Ed Pozharski
On Mon, 2012-05-14 at 13:01 -0400, Bosch, Juergen wrote: > Although the question was asked for Mosflm I would like to briefly > p[oint out that you might be able to also rescue your data by using a > program that does 3D profile fitting e.g. d*trek and XDS. For the sake of completeness (and nothi

Re: [ccp4bb] how to ignore spot overlap in imosflm?

2012-05-14 Thread Bosch, Juergen
Although the question was asked for Mosflm I would like to briefly p[oint out that you might be able to also rescue your data by using a program that does 3D profile fitting e.g. d*trek and XDS. However as Andrew pointed out the shoot first try to fix it later mentality might have ruined the po

[ccp4bb] 2 postdoctoral positions available@EMBL-Hamburg

2012-05-14 Thread margret
Dear All, I would like to inform you that 2 postdoctoral positions are available at the EMBL Hamburg Unit in the research group of Matthias Wilmanns. I attach brief descriptions of the Vacancy Notices below. Deadline for application is 15th June 2012. Further Detailed Information can be found u

Re: [ccp4bb] Off topic: thermal melt

2012-05-14 Thread Carlos Kikuti
Hi Anita, You don't state the WL of the melting and "back folding" CDs, I'm guessing it's around 210 nm? In any case, the "refolding" that you see might be just the formation of aggregates. For saying if it's really refolding you'd need a new spectrum WL vs AU in the end of the "reverse therm

Re: [ccp4bb] Deposition of riding H

2012-05-14 Thread Ed Pozharski
On Sat, 2012-05-12 at 19:28 +0100, Yuri Pompeu wrote: > Dear community, > I am probably disturbing a sleeping bear definitely so > Reading the thread on hydrogen deposition with the model, I came accross > several arguments that make sense on their own, but when put together are > puzzling and

Re: [ccp4bb] question on metal refinement in a protein structure

2012-05-14 Thread Ed Pozharski
On Sat, 2012-05-12 at 08:48 -0400, Dave Roberts wrote: > However, I just want to make sure the metal environment is not due to > the fact that I did something wrong in my refinement script - thus > making it tetrahedral because it was refined as tetrahedral. ... > I don't use CCP4 for refinement,

[ccp4bb] position in HTP crystallization

2012-05-14 Thread Jeff Bonanno
A position in crystallization is now available at the New York Structural Genomics Research Consortium (NYSGRC; www.nysgrc.org). The NYSGRC is one of four NIH-funded high throughout structure determination centers for PSI:Biology. Extensive macromolecular cystallization experience is an absolute

[ccp4bb] DIALS-I workshop on X-ray Diffraction Data Analysis

2012-05-14 Thread Gwyndaf Evans
[Just to correct a few issue with my earlier announcement here it is again with subject line!] Dear All, I would like to draw your attention to the DIALS-I workshop on X-ray Diffraction Data Analysis to be held at Diamond Light Source on June 12th/13th 2012. For information about the programme

[ccp4bb]

2012-05-14 Thread Gwyndaf Evans
Dear All, I have been informed that you might need to try this link instead. http://www.diamond.ac.uk/Home/Events/DIALS-1/ Apparently, the added 'www' makes a difference when outside of Diamond. Sorry about that. Gwyndaf From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of G

[ccp4bb]

2012-05-14 Thread Gwyndaf Evans
Dear All, I would like to draw your attention to the DIALS-I workshop on X-ray Diffraction Data Analysis to be held at Diamond Light Source on June 12th/13th 2012. For information about the programme and how to register for the workshop please go to the home page http://diamond.ac.uk/Home/Even

[ccp4bb] Reminder: Deadline 20th of May for application to the PEPC8 EMBO Practical course

2012-05-14 Thread Rob Meijers
Dear all, this is a reminder that the deadline for application to the EMBO Practical Course "Protein expression, purification and characterization" (PEPC8) is on Sunday the 20th of May. The course will be held at  EMBL Hamburg from the 3rd of September until the 11th of September 2012. This

Re: [ccp4bb] how to ignore spot overlap in imosflm?

2012-05-14 Thread A Leslie
Dear Xinghua, Other have already commented on the fact that if the spots are overlapping, even if you adjust some parameters to be able to integrate the data and get a reasonably complete data set, the resulting intensities will have some systematic errors that may ca

Re: [ccp4bb] how to ignore spot overlap in imosflm?

2012-05-14 Thread Harry Powell
Hi This is all good advice, but there is more that you could do if you're desperate to use these images. Having made sure that your spots on the images are not actually overlapping (i.e. by looking closely at the images), but just flagged as overlapping in iMosflm, you may be able (i.e. n