Created on 2 Feb 2015
@author: jmht
MRinfo
Bases: object
object
An object to analyse Molecular Replacement solutions
work_dir
Path to the working directory
shelxe_exe
Path to the SHELXE executable
stem
The name for all the SHELXE files
originShift
The origin shift of the MR pdb to native as a list of three floats
MPE
The Mean Phase Error of the MR pdb to the native pdb
wMPE
The weighted Mean Phase Error of the MR pdb to the native pdb
analyse
Use SHELXE to analyse an MR pdb file to determine the origin shift and phase error
This function sets the MPE, wMPE and originShift attributes.
mk_native_files
Create the files required by SHELXE from the native structure