Documentation of translocation

Contents:

• Working with MTZ files
  • Intensities
  • Structure factors
• Working with HKL
• Working with hkl
• Working with SCA
• Help

Introduction

TRANSLOCATION is a Python3 module that helps to deal with multi-lattice translocation defects. If translocation defects are present, they may affect the quality of electron density dramatically.

TRANSLOCATION works with MTZ files with intensities or structure factors, HKL files from XDS, hkl files for SHELX, and also with SCA files.

Installation

TRANSLOCATION is a module that can be installed using PIP from https://pypi.org/translocation.

python3 -m pip install translocation

Dependencies

TRANSLOCATION has no dependencies for text-based data files. For work with MTZ files, TRANSLOCATION depends on GEMMI.

Example

The very first structure tested with TRANSLOCATION is S1 nuclease in complex with RNA segments (Adámková et al., 2022).

11. Adámková, T. Kovaľ, L.H. Oestergaard, J. Dušková, M. Malý, L. Švecová, T. Skálová, P. Kolenko, J. Dohnálek. (2022). Atomic resolution studies of S1 nuclease complexes reveal details of RNA interaction with the enzyme despite mutiple lattice-translocation defects. //Acta Cryst. D//78, 1194-1209.

Help

python3 -m translocation --help

More information on Help is here.