It has just worked for me?
convert to mtz
file type mmCIF
then I had to put in my own cell and spacegroup.
And I will have to calculate phases before I can use coot with it..
Eleanor
Eleanor
It looks like this..
#
_audit.revision_id 1_0
_audit.creation_date 2005-03-22
_audit.update_record 'Initial release'
#
loop_
_refln.wavelength_id
_refln.crystal_id
_refln.index_h
_refln.index_k
_refln.index_l
_refln.F_meas_au
_refln.F_meas_sigma_au
_refln.status
1 1 0 0 -51 0.0 0.00 0
1 1 1 0 -51 0.0 0.00 0
1 1 4 0 -51 0.0 0.00 0
1 1 0 1 -51 0.0 0.00 0
1 1 1 1 -51 0.0 0.00 0
1 1 2 1 -51 0.0 0.00 0
Kristof Van Hecke wrote:
Dear all,
I'm looking for a convenient way of converting a .cif structure factor
file (from PDB) to a map-file (e.g. .mtz) to open with COOT for
example..?
Already tried ccp4i with 'Convert to/modify/extend MTZ', but got a
bunch of errors when opening with coot..
Many thanks
Kristof
--------------------------------------
Kristof Van Hecke, PhD
Biomoleculaire Architectuur
Celestijnenlaan 200 F
B-3001 Heverlee (Leuven)
Tel: +32(0)16327477
--------------------------------------
Disclaimer: http://www.kuleuven.be/cwis/email_disclaimer.htm
