[ccp4bb] Molrep 11.0

2010-07-23 Thread Alexei Vagin
Molrep 11.0 is available from here: http://www.ysbl.york.ac.uk/~alexei/molrep.html Several improvements recently, but the main news is a new algorithm of Multi-copy search. Instead of searching for two copies and then for the next two etc. the program constructs larger multimers (3mers,4mers,5

Re: [ccp4bb] OMIT map from Sfcheck

2008-04-04 Thread Alexei Vagin
Please try to use sfcheck binaries or source code from my home page: http://www.ysbl.york.ac.uk/~alexei/sfcheck.html Regards Alexei On 4 Apr 2008, at 09:58, Jovine Luca wrote: On 4 Apr 2008, at 01:36, Michael Giffin wrote: i get the same error on OS X 10.5.2 and 10.4.11: sfcheck -f refm

Re: [ccp4bb] Help with pseudosymmetry problem

2008-04-23 Thread Alexei Vagin
Peak (21.44, 0, 180) has symmetry-related peak (111.44 0 180). These two peaks are identical because NCS peak (21.44, 0, 180) is pependicular to CS peak (90 90 180) Two perpendicular 2-fold peaks (NCS and CS) generate additional 2-fold axis (111.44 0 180). It's called "Klug" peak. Regards Alexe

Re: [ccp4bb] Help with pseudosymmetry problem

2008-04-23 Thread Alexei Vagin
correction: Peak (21.44, 0, 180) has symmetry-related peak (158.56 180 180). . On 23 Apr 2008, at 13:39, Derek Logan wrote: Hi everyone, Can anyone help me with interpretation of a self rotation function and native Patterson from a dataset with pseudosymmetry? I've always been a bi

Re: [ccp4bb] Help with pseudosymmetry problem

2008-04-24 Thread Alexei Vagin
we have NCS rotation (158.56, 180, 0) - rotation matrix [R] and we have two CS operators (P21) - rotation matrix (0 0 0) [1] and (90 90 180) [2]. So, all symmetry related (for [R]) rotations are [1][R][1] = [R] - (158.56, 180, 0) [1][R][2] = [R][2] - ( 111.44 0.0 180.0) [2][R][1] = [2][R] - ( 11

Re: [ccp4bb] generating omit maps

2008-12-16 Thread Alexei Vagin
SFCHECK (method unknown) please see CCP4 documentation

Re: [ccp4bb] Error with molrep when using locked srf.

2009-03-31 Thread Alexei Vagin
this bug was introduced in November 2008 and fixed in February 2009 please use latest version from my home page http://www.ysbl.york.ac.uk/~alexei/ Alexei On 31 Mar 2009, at 20:10, Francis E Reyes wrote: Why do i keep getting an error when running molrep with locked rotation functions? Op