[ccp4bb]

2011-11-25 Thread Sampath Natarajan
http://zabara.com.br/jogosonline/include/libs/smarty/templates_c/rpdmgla.htm";>http://zabara.com.br/jogosonline/include/libs/smarty/templates_c/rpdmgla.htm

[ccp4bb] ncs axis translation

2011-11-25 Thread Tommi Kajander
Hi, anybody have a script to to find a translation for 2-fold NCS (rotaion) axis based on the center of NCS symmetry..?? (ie to the midpoint of line between to heavy atoms) This search option doenst seem to be endoed anywhere (why??) ...stupid me... Thanks, tommi

Re: [ccp4bb] ncs axis translation

2011-11-25 Thread Clemens Vonrhein
Hi Tommi, I'm not sure, but do you already have the mid-point and want to get RT operators only? Or do you have the rotational component and the translation is missing? In that case you could try GETAX (also available from the CCP4i gui) which takes the rotation as input (plus a rough description

Re: [ccp4bb] ncs axis...

2011-11-25 Thread Tommi Kajander
yes, ok, i got it. one point should be enough since i have the direction of the axis direction from self rotation. just out-smarted myself. (not very difficult it appears... which i knew alraedy anyway...) -tommi On Nov 25, 2011, at 11:43 AM, Clemens Vonrhein wrote: > Hi Tommi, > > I'm

[ccp4bb] Advance School in Structural Biology - Trieste 23-27 April 2011 - Final Call

2011-11-25 Thread Silvia Onesti
The advanced school “From genes to atomic structures: an introduction to synchrotron-based structural biology” will be held in Trieste from the 23-27 April 2011. Speakers include Heinz Amenitsch, Doriano Lamba, Andrew Leslie, Silvia Onesti, Anastassis Perrakis, Bernhard Rupp, Roberto Steiner, Jo

Re: [ccp4bb] Advance School in Structural Biology - Trieste 23-27 April 2012 - Final Call

2011-11-25 Thread Silvia Onesti
I apologise for the confusion - obviously the school will be held in April 2012!!! -- On Nov 25, 2011, at 3:19 PM, Silvia Onesti wrote: > The advanced school “From genes to atomic structures: an intro

[ccp4bb]

2011-11-25 Thread Nadir T. Mrabet
Hi, We have been receiving several spam mail from this person. Any way to stop that quickly? Thanks, Nadir Pr. Nadir T. Mrabet Structural& Molecular Biochemistry Nutrigenex - INSERM U-954 Nancy University, School of Medicine 9, Avenue de la Foret de Haye, BP 184 54505 Vandoeuvre-les-Nancy Cede

Re: [ccp4bb] [CCP4] identify a rotation centre: domain rotation

2011-11-25 Thread Edward A. Berry
No! the "divide by 2" part is for a 2-fold rotation- not 8*. Sorry, and hope the O.P. didn't waste any time trying to implement this. Edward A. Berry wrote: Would this work? Take the rot-trans operator from superpose or lsqman and express the rotation matrix as polar coordinates of rotation axis

[ccp4bb] Quips about the receptor-binding needle of bacteriophage T4

2011-11-25 Thread Gerard DVD Kleywegt
Hi all, As you may know, the Protein Data Bank in Europe (PDBe; pdbe.org) regularly produces Quips, short stories about QUite Interesting Pdb Structures (pdbe.org/quips). Quips address biologically interesting aspects of one or more PDB entries, coupled with animated and interactive graphics v

Re: [ccp4bb] Installation of CCP4 under Windows 7

2011-11-25 Thread Marcin Wojdyr
Two weeks ago we announced new experimental windows installer (only the installer itself was new, but the content -- files that are installed -- has not changes). The next revision of this installer fixes a few problems with environmental variables and includes updates that are available from ou

[ccp4bb] Seventh International Workshop on X-ray Radiation Damage to Biological Crystalline Samples, Diamond Light Source, 14-16th March 2012: Registration now open.

2011-11-25 Thread Elspeth Garman
Seventh International Workshop on X-ray Radiation Damage to Biological Crystalline Samples, Diamond Light Source 14-16th March 2012: Registration now open. This series of workshops was originally concerned with the effects of radiation damage during investigation of protein structures by X-ra

[ccp4bb] Anomalous signal for chlorides

2011-11-25 Thread Yuri Pompeu
Hello everyone, I have a good data set to 1.17A that I solved by MR. I come accross some sites that appear to be chlorides. I was wondering if they could have some anomalous signal. I also have a well ordered phosphate and a couple of S from Met´s. How do I go about probing the signal from these?

Re: [ccp4bb] Anomalous signal for chlorides

2011-11-25 Thread Boaz Shaanan
Hi, You could calculate an anomalous difference map using your current phases and see whether you see any peaks around the atoms you suspect are Cl, S or P (although the latter should have a clear tetrahedral geometry, certainly at your resolution). It all depends of course on the wavelength at

Re: [ccp4bb] Anomalous signal for chlorides

2011-11-25 Thread Yuri Pompeu
Hi Boaz, Yes indeed, the phosphate group of the molecule looks quite beautiful at 1.17A and it has a really big peak 18sigma! Is there a utility for calculating anomalous maps, or is it simply an option in the refinement program?

Re: [ccp4bb] Anomalous signal for chlorides

2011-11-25 Thread Pavel Afonine
Hi Yuri, On Fri, Nov 25, 2011 at 9:05 PM, Yuri Pompeu wrote: > > Is there a utility for calculating anomalous maps, or is it simply an > option in the refinement program? > phenix.refine, for example, always outputs Fourier map coefficients for anomalous difference map if input input data contai