In recent coots, (This is 0.4.1, kendall, on a mac or linux) you no
longer need to calculate fcalc and phases. If you choose auto open
mtz and have at least one pdb file open, coot will ask you which pdb
file to use to calculate fcalc and phases. (I guess it runs refmac
then) and, voila, the maps are displayed.
Sue
On Jan 29, 2008, at 8:37 AM, Eleanor Dodson wrote:
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
Sue Roberts
Biochemistry & Biophysics
University of Arizona
[EMAIL PROTECTED]
