Re: [ccp4bb] Self rotation function

2021-05-23 Thread Eleanor Dodson
Yes - Prasun - I think self rotation functions are a validation tool rather than a preliminary piece of evidence.. Sometimes it helps to know one expects a trimer or a 13 fold axis or some such but in this case they can help tell you you have the right solution - once you have it! All the best

Re: [ccp4bb] Self rotation function

2021-05-22 Thread Ian Tickle
Hi Eleanor According to the peak search the 3 highest peaks on the chi=180 section are at: | 390.00 -52.26 180.000.49 | | 490.00 -73.73 180.000.47 | | 590.00 -66.55 180.000.44 | plus a lot of lower peaks on that section which are clearly in

Re: [ccp4bb] Self rotation function

2021-05-22 Thread Eleanor Dodson
Ian - I read the log file - agree, you cant get much from the pictures.. But the peak heat of the translation vector is 50% od the origin - ie pretty strong.. And ditto for the rotation angles - all 50% of origin too But of course any set of rotation angles does not have to generate a closed

Re: [ccp4bb] Self rotation function

2021-05-22 Thread Ian Tickle
Hi Eleanor On Sat, 22 May 2021 at 14:55, Eleanor Dodson < 176a9d5ebad7-dmarc-requ...@jiscmail.ac.uk> wrote: > And several strong rotations > 180 0 90. - ie a 4 fold round the c axis? > 0 0 60 - ie a 6 fold round the c axis? > How can you tell that from the meagre information provided

Re: [ccp4bb] SELF-ROTATION FUNCTION FROM MOLREP

2013-11-18 Thread Eleanor Dodson
First Q - how good is your data - is there no possibility of twinning or any other distraction? Second Q - To compare those results properly we need to know how the P2 and the P222 cell align - are the cell dimensions more or less the same? But the 2 plots you attach (and the list above) show

Re: [ccp4bb] SELF-ROTATION FUNCTION FROM MOLREP

2013-11-18 Thread Monica Mittal
Dear CCP4 Users, In Phenix.xtriage and phaser, the analyses of the Patterson function reveals a significant off-origin peak that is 23.25 % of the origin peak, indicating pseudo translational symmetry at frac. cord. vector 0.0000.5000.022 . It did not indicate any twinng.

[ccp4bb] AW: [ccp4bb] SELF-ROTATION FUNCTION FROM MOLREP

2013-11-18 Thread Herman . Schreuder
a script for it, it is very little work. Good luck! Herman -Ursprüngliche Nachricht- Von: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] Im Auftrag von Monica Mittal Gesendet: Montag, 18. November 2013 14:37 An: CCP4BB@JISCMAIL.AC.UK Betreff: Re: [ccp4bb] SELF-ROTATION FUNCTION FROM

Re: [ccp4bb] Self rotation function and translation peak

2013-07-06 Thread Eleanor Dodson
Well - translation peaks are listed in the data processing log file - look for the word translation. If there is an off-origin peak 25% of the origin you probably have two 9or more) molecules in similar orientations but displaced from each other. Self rotation peaks are listed in various

[ccp4bb] Self rotation function and translation peak

2013-07-05 Thread Faisal Tarique
*Dear All *In case we have more than one molecule per asymmetric unit, how to look for the results of the self-rotation function calculation and translation peak in the native patterson. -- Regards Faisal School of Life Sciences JNU

Re: [ccp4bb] Self rotation function interpretation

2013-02-11 Thread R. M. Garavito
Emma, You need to provide more information. Luckily, I222 is orthorhombic, so a* is along a, b* is along b, and c* is along c. This makes things so much easier to interpret. I hope the plotting conventions you used are typical: b along +y (North pole), a along +x (to the right), and c

Re: [ccp4bb] Self rotation function interpretation

2013-02-10 Thread Fulvio Saccoccia
Did you perform Matthews analysis? It should give you some indications on the number of monomers in the asymmetric unit. Can you send the list of peaks? It should be a file with .tab extension. Cheers Fulvio Saccoccia Dept. of Biochemical Sciences Sapienza University of Rome Il 10/02/2013

Re: [ccp4bb] self rotation function

2011-06-06 Thread Eleanor Dodson
On 06/03/2011 02:01 PM, Careina Edgooms wrote: Dear ccp4 members I have question about how to interpret polarrfn log. I wish to know if my crystal display NCS. I am not sure how to interpret the file. I see it have two peak, one is origin and the other is not that high to me. I have attach copy

[ccp4bb] self rotation function

2011-06-06 Thread Ian Tickle
*Subject:* Re: [ccp4bb] self rotation function Hi Careina 30% of the origin peak is fairly respectable. You could probably make it higher by varying the high res cutoff. You have 2 Ang: it may be that the NCS doesn't extend to that resolution, so making it a bit lower might improve the signal

Re: [ccp4bb] self rotation function

2011-06-04 Thread Ian Tickle
Hi Careina 30% of the origin peak is fairly respectable. You could probably make it higher by varying the high res cutoff. You have 2 Ang: it may be that the NCS doesn't extend to that resolution, so making it a bit lower might improve the signal/noise ratio. It would be nice to see the plot

[ccp4bb] self rotation function

2011-06-03 Thread Careina Edgooms
Dear ccp4 members I have question about how to interpret polarrfn log. I wish to know if my crystal display NCS. I am not sure how to interpret the file. I see it have two peak, one is origin and the other is not that high to me. I have attach copy of the file. If someone could assist me to

Re: [ccp4bb] Self Rotation function - NCS

2010-04-06 Thread Eleanor Dodson
You need to tell us the spacegroup for us to be very helpful... And I often find the molrep plots less useful than the list of peaks and all the symmetry equivalents.. (It has a weird name - *rf or *doc I think) But I guess all the variant are in point group P222? There are the 3 expected 2

Re: [ccp4bb] Self rotation function calculation

2008-11-25 Thread Karsten Schaefer
Hi Sympath, Did you try to change the default Search radius? To my understanding MOLREP estimats the search radius somehow from the volume of the asymmetric unit and not from the expected radius of the monomer (you don't give the program the number of expected molecules). The signal of the SRF

Re: [ccp4bb] Self rotation function calculation

2008-11-25 Thread Sampath Natarajan
Dear All, Thank you very much for the reply and suggesions regarding my self rotation function calculation. Really I appreciate who are all responded me regarding my query. Now I got some idea about my structure in the assymetric unit. Thanking you once again. Sincerely yours, Sampath On Thu,

Re: [ccp4bb] Self rotation function calculation

2008-11-21 Thread Claudine MAYER
Hi Sampath, We had a very similar case, an octamer (422 symmetry) in C2 space group. What saved us for solving the structure (and by the way interpreting the self-rotation function !!) was a low resolution electron microscopy envelope (silver stain and cryo-EM) that gave us the organisation of

Re: [ccp4bb] Self rotation function and figures

2008-03-16 Thread Georg Zocher
U Sam wrote: Hi, I am using a native data of 2 angstrom and C2 space group, final R-merge is 0.059. I processed data using HKL2000. I highly appreciate suggestion how can I generate self-rotation function, get figures and save that in required format. Thanks, Sam

[ccp4bb] Self rotation function and figures

2008-03-15 Thread U Sam
Hi, I am using a native data of 2 angstrom and C2 space group, final R-merge is 0.059. I processed data using HKL2000. I highly appreciate suggestion how can I generate self-rotation function, get figures and save that in required format. Thanks, Sam

[ccp4bb] [Fwd: Re: [ccp4bb]: self rotation function matrix NCS matrix]

2007-08-22 Thread weikai
Hi Eleanor and others: This is a little too late to follow up on this thread. But here is a similar question concerning MR and self-rotation. Without going into the translational part of MR, is it possible to tell the orientation of a 2-fold axis directly from the cross-rotation peaks? e.g. I