Re: [ccp4bb] Fun Question - Is multiple isomorphous replacement an obsolete technique?

2012-06-13 Thread Murray, James W
>I think there is a misconception floating around that processing your >data with "anomalous turned on" will somehow degrade the quality of >"normal" intensity data. I can think of very few circumstances when I would NOT want anomalous data, yet for many data processing pipelines, it is the defa

Re: [ccp4bb] Fun Question - Is multiple isomorphous replacement an obsolete technique?

2012-06-13 Thread Phil Evans
Just to be clear, the CCP4 data processing programs (SCALA and its replacement AIMLESS) always give you I+ and I- in the output. The only difference between "anomalous on & off" is in the outlier rejection, since if you have a large anomalous signal you don't want to reject as "outliers" reflect

[ccp4bb] ICCBM14 Workshop & Conference, Hunstville, Alabama

2012-06-13 Thread mesters
We cordially invite you to participate in the 14th International Conference on the Crystallization of Biological Macromolecules (ICCBM14) on September 23-28, 2012. The conference will be held in Huntsville, the "/Rocket City/," in the beautiful state of Alabama. The meeting site will be at the

[ccp4bb] PHENIX: sequence files input problem

2012-06-13 Thread Qixu Cai
Dear all, Sorry for the non-CCP4 question. My crystal is a complex of two proteins. I use Se-Met SAD method to solve the structure, and only one of the proteins is Se-Met protein. When I use phenix.autobuild to auto-build the model, how do I input the sequences? in a file or two files? And

Re: [ccp4bb] how to get phase of huge complex

2012-06-13 Thread R. M. Garavito
Lisa, As others have said, using careful data collection and the modern program suites available (SHARP, Phenix, etc.), a 300 KD complex with 111 Se-Met residues should be quite solvable. But you didn't state is what is in the asymmetric unit (the important figure): one complex with 111 Se-Me

[ccp4bb] Recompile fsearch with increased memory

2012-06-13 Thread Jason Busby
Hi, I am trying to run fsearch to do molecular replacement from a SAXS envelope, but it gives an error: FSEARCH: *out of allocated memory* I assume this is because of my large unit cell: 133.9180 147.8250 274.7790 90. 90. 90. Is it possible to increase the amount of memory

Re: [ccp4bb] PHENIX: sequence files input problem

2012-06-13 Thread Pavel Afonine
Hi Qixu Cai, first off -- as a reminder, there is Phenix mailing list to post Phenix-related questions: http://www.phenix-online.org/ Your first question: yes, give it one sequence file containing all. Your second question: see here http://phenix-online.org/documentation/autobuild_gui.htm Pavel

[ccp4bb] Off-Topic

2012-06-13 Thread Jahan Alikhajeh
Dear Friends, Does anyone know how to control the polymerization of G-actin to F-actin? I need F-actin with <100 DP (degree of polymerization). Any suggestion is highly appreciated. Jahan

Re: [ccp4bb] Recompile fsearch with increased memory

2012-06-13 Thread Pete Meyer
Jason, It seems like you're on the right track - it's usually not a problem to increase array sizes and rebuild. How are you building (aka "cd $CCP4/src; make fsearch" or something else)? If you're calling the fortran compiler (or ld) directly, it looks like there's an a problem with the li

Re: [ccp4bb] Off-Topic

2012-06-13 Thread mattvetting
Matthew Vetting Enzyme Function Initiative Structural Biology Albert Einstein College of Medicine - Reply message - From: "Jahan Alikhajeh" To: Subject: [ccp4bb] Off-Topic Date: Wed, Jun 13, 2012 5:05 pm Dear Friends, Does anyone know how to control the polymerization of G-actin to F

Re: [ccp4bb] PHENIX: sequence files input problem

2012-06-13 Thread mattvetting
Matthew Vetting Enzyme Function Initiative Structural Biology Albert Einstein College of Medicine - Reply message - From: "Pavel Afonine" To: Subject: [ccp4bb] PHENIX: sequence files input problem Date: Wed, Jun 13, 2012 4:51 pm Hi Qixu Cai, first off -- as a reminder, there is Phenix

Re: [ccp4bb] Recompile fsearch with increased memory

2012-06-13 Thread David Schuller
Another option might be to reduce the resolution of the search. With SAXS you don't have much resolution in your search model anyway. On 06/13/12 16:33, Jason Busby wrote: Hi, I am trying to run fsearch to do molecular replacement from a SAXS envelope, but it gives an error: FSEARCH: *out

Re: [ccp4bb] Recompile fsearch with increased memory

2012-06-13 Thread Jason Busby
Ah thanks, I've managed to get it sorted out. In case anyone else has this issue, I downloaded the CCP4 source code, increased MAX3D in fsearch.f, and recompiled. I first built CCP4 (./configure && make) and then fsearch explicitly (cd src && make fsearch). Thanks, Jason. -- Jason Busby PhD