Re: [ccp4bb] Expanding p4212 coordinates to p1

2012-04-12 Thread Henning Stahlberg
Hi, I was referring to P42(1)2, which is the CCP4 symmetry number 90. I am working on 2D membrane protein crystals and cryo-electron microscopy images of these, where I initially deal with two-dimensional projection images, which are eventually merged into a 3D dataset. Therefore my sloppy for

Re: [ccp4bb] Expanding p4212 coordinates to p1

2012-04-12 Thread Ian Tickle
Yes I was also confused by the fact that P4212 is obviously a space group (upper case 'P') whereas p4 and p1 are plane groups (lower case 'p'), as stated. Not sure what 'p2121' is though, I assumed it was somehow related to the p2gg plane group (no 8). Also there's no plane group 'p6212', but the

Re: [ccp4bb] Expanding p4212 coordinates to p1

2012-04-12 Thread Bart Hazes
I am confused by the discussion on this message. Although it says plane group I assume it really is a normal 3D tetragonal space group, P42(1)2 So Eleanor's suggestion should work and sftools expand command will do the job as well. Bart On 12-04-12

Re: [ccp4bb] Expanding p4212 coordinates to p1

2012-04-12 Thread Ian Tickle
On 2nd thoughts I guess you could do it in a space group that's a supergroup of the plane group say with all l and all z = 0. Then you could use symm x,y,z and it would just ignore the z components (I think?). I. On 12 April 2012 12:11, Ian Tickle wrote: > 'echo symm x,y | cad' gives: > >  Data

Re: [ccp4bb] Expanding p4212 coordinates to p1

2012-04-12 Thread Ian Tickle
'echo symm x,y | cad' gives: Data line--- symm x,y **SYMMETRY OPERATOR ERROR** Error in interpreting symop "X,Y" I. On 12 April 2012 12:03, Eleanor Dodson wrote: > Apologies - I didn't notice the plane group.. > Although I think if the sym ops are correctly listed in the P4121 file they >

Re: [ccp4bb] Expanding p4212 coordinates to p1

2012-04-12 Thread Eleanor Dodson
Apologies - I didn't notice the plane group.. Although I think if the sym ops are correctly listed in the P4121 file they will just be applied as given.. Eleanor On 12 April 2012 11:58, Ian Tickle wrote: > I didn't realise the CCP4 suite could handle the plane groups: where > are they listed (th

Re: [ccp4bb] Expanding p4212 coordinates to p1

2012-04-12 Thread Ian Tickle
I didn't realise the CCP4 suite could handle the plane groups: where are they listed (they're not in symop.lib or syminfo.lib)? Or are they doing some clever projections of the space groups? Cheers -- Ian On 12 April 2012 11:48, Eleanor Dodson wrote: > Cad will do this correctly > Reflection u

Re: [ccp4bb] Expanding p4212 coordinates to p1

2012-04-12 Thread Eleanor Dodson
Cad will do this correctly Reflection utilitied - merge mtz ( rather confusing job title - sorry..) mtz in - the P4121.mtz data Output - P41212-ext.mtz Defne mtz output Select define limit for refl;action by Laue code select P1 then you will get a list of all P1 reflections with phases correctly