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The underlying program cif2mtz will convert everything it can recognise,
i.e. it will convert intensities or amplitudes or both, depending on
what is there.
But what is actually in a PDB cif structure factor file varies greatly.
For a start, there's a high chance there are no phases, so no map
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..
doesn't coot have an 'import from EDS'
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_id1_0
_audit.creation_date 2005-03-22
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,
Hi everyone,
I am trying to build and refine a phosphatidylserine (PSF) lipid
molecule, using ShelX for the refinment.
I have taken the ideal coordinates from the Hic-up server and bond
length/angles from PRODRG (see below). After approximately modelling
the atom positions using Coot I started
The GUI actually is a quite convenient way. In my experience, however, the
GUI or the program called by the GUI does not check whether the cif
contains intensities or amplitudes. So you can use the GUI, look at the
script it generates and adjust it according to the header in your cif.
Tim
--
Dear all,
The Commissariat l'Energie Atomique (CEA, France) is financing a
number of PhD fellowships at the Institut de Biologie Structurale (IBS,
Grenoble) that concern "Structural Biology and Biophysics " or
"Molecular Biophysics" :
* SL-DSV-08-013 Recognition of danger signals and
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
