Help ==== .. _help: .. code-block:: console python3 -m translocation --help #################################################### # # Correction for MULTI-LATTICE TRANSLOCATION defects # # https://github.com/kolenpe1/translocation - source # https://kmlinux.fjfi.cvut.cz/~kolenpe1/translocation - doc # #################################################### usage: TRANSLOCATION [-h] [-c CELL [CELL ...]] [--mtz_I MTZ_I] [--I_label I_LABEL] [--SIGI_label SIGI_LABEL] [--mtz_F MTZ_F] [--F_label F_LABEL] [--SIGF_label SIGF_LABEL] [--hkl HKL] [--HKL HKL] [--sca SCA] [--sca_ignore SCA_IGNORE] [--k1 K1] [--fc1 FC1 [FC1 ...]] [--k2 K2] [--fc2 FC2 [FC2 ...]] [--k3 K3] [--fc3 FC3 [FC3 ...]] [--k4 K4] [--fc4 FC4 [FC4 ...]] [--k5 K5] [--fc5 FC5 [FC5 ...]] [--force] [-o OUTPUT_FILE] options: -h, --help show this help message and exit -c CELL [CELL ...], --cell CELL [CELL ...] unit cell parameters --mtz_I MTZ_I input MTZ file with intensities --I_label I_LABEL label for intensities --SIGI_label SIGI_LABEL label for sigmas --mtz_F MTZ_F input MTZ file with structure factors --F_label F_LABEL label for structure factors --SIGF_label SIGF_LABEL label for sigmas --hkl HKL input file with SHELX-like structure factors --HKL HKL XDS_ASCII.HKL input file from XDS --sca SCA input SCA file with intensities --sca_ignore SCA_IGNORE how many initial lines should be ignored (do not contain data) --k1 K1 fraction of the 1st translocation disorder --fc1 FC1 [FC1 ...] fractional coordinates of the 1st translocation disorder --k2 K2 fraction of the 2nd translocation disorder --fc2 FC2 [FC2 ...] fractional coordinates of the 2nd translocation disorder --k3 K3 fraction of the 3rd translocation disorder --fc3 FC3 [FC3 ...] fractional coordinates of the 3rd translocation disorder --k4 K4 fraction of the 4th translocation disorder --fc4 FC4 [FC4 ...] fractional coordinates of the 4th translocation disorder --k5 K5 fraction of the 5th translocation disorder --fc5 FC5 [FC5 ...] fractional coordinates of the 5th translocation disorder --force, -f forcing output file -o OUTPUT_FILE, --output_file OUTPUT_FILE defines the output file