Overview

GetStructure is a simple application to download structure files from the RCSB servers for a given PDB code.

Input for the application is the 4-character PDB code identifying the structure. By default, the following files are downloaded if available:

  • MMCIF (.cif.gz): the structure in mmCIF format

  • Structure factor CIF (_validation_2fo-fc_map_coef.cif.gz): 2Fo-Fc map coefficient file for X-ray structures

  • CryoEM map (.map.gz) and header (.xml): density map and metadata for cryo-EM structures

The legacy PDB format (.pdb.gz) can be requested with the -pdb flag. The Fo-Fc structure factor file (_validation_fo-fc_map_coef.cif.gz) can be requested with the -fofc flag.

Note

GetStructure downloads structure factor CIF files, not MTZ files.

Note

On macOS and RHEL 8, the user has to install openSSL 1.1 for the application to work. To install openssl on macOS we recommend using HomeBrew (https://brew.sh/), and the command: brew install openssl@1.1

Or, if you are using a conda environment, specify the openssl version with:

conda install openssl=1.1 -y

GetStructure is not supported on RedHat 9 and Windows 11 at this time due to an incompatibility with openSSL 1.1