Re: [ccp4bb]: Reindex

[Bart Hazes <bart.hazes@ualberta.ca>]

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Miha Andrejasic wrote:
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> 
> Hello!
> 
> I am seeking for any advice, how to convert mtz file in C2 space group
> to P1 with reindex. I used axissearch and tracer to analyse data.
> 
> Thank you for any help

Dear Miha,

What you are requesting is not a simple conversion. To go from C2 to P1 
you need to generate two reflections for each one in your C2 data set. 
Officially you'd also need to generate reflections for the systematic 
absences in the C2 data set but since all amplitudes are zero you can 
probably forget about them. SFTOOLS will allow you to convert from any 
protein space group to P1 or another valid subgroup. It will expand the 
data by applying the appropriate symmetry and apply corrections to 
phases and HL coefficients if present. Here is the output of the
EXPAND HELP command


OPTION: EXPAND [SPAGRP]
=======================

Expand the reflections to lower symmetry. Phases and H/L coefficients 
will be
treated, the spacegroup information will be updated, and the expanded
reflections will be sorted

SPAGRP
Spacegroup number to which to expand. This must be a proper subgroup 
(default
is 1)

WARNING: if you expand to a spacegroep that has its origin at a different
position then the phases will not be correct (e.g. P212121 to P21)

EXAMPLES:
=========

EXPAND
(expand to P1)

EXPAND 3
(expand to P2)

-- 

==============================================================================

Bart Hazes (Assistant Professor)
Dept. of Medical Microbiology & Immunology
University of Alberta
1-41 Medical Sciences Building
Edmonton, Alberta
Canada, T6G 2H7
phone:  1-780-492-0042
fax:    1-780-492-7521

==============================================================================