Hi Smith,
Both PDB and MTZ have records on their headers to specify the cell
dimensions and space group. And for an MTZ, once the cell dimension and
space group are fixed, its coordinate origins can also be fixed. For a PDB,
its "CRYST1" record specifies its unit cell dimensions and space group.
Dear Smith,
Coot calculates electronic map from data columns in the mtz file. If a
correct model (atomic coordinates) in a PDB file is generated from the mtz file
(Model building). This mode (PDB file) will " fit " the mtz file.
Yours
Sincerely!
Lu Zuokun
--
卢作焜
南开大学新生物站A202
在 2015-0
On 03/19/2015 07:20 AM, Smith Liu wrote:
Suppose I have a PDB file and a mtz file (PDB file from protein A, mtz
file from protein B, which is a homology protein of protein A) which
are not from the same refinment (thus not fit automatically in Coot),
will you please tell me what modification I
Dear All,
When we by Coot open the PDB fle and the mtz file from the same refinement, the
protein backbone (and the sidechains) and the electron density always fit
automatically. Will you please tell me the mechanism of the Coot how the PDB
file automatically fit the mtz file in its graphical
