PDB2INS

Entered: Tue Sep 24 2024

Operating systems: Linux

Type: Source

Languages: Python

Distribution: Free

Application fields: Crystal chemistry; Structure determination

Bibliography: A. V. Luebben, G.M. Sheldrick, J. Appl. Cryst. (2019). 52, 669–673

Description: The open-source Python program PDB2INS is designed to prepare a .ins file and .hkl file for refinement with SHELXL, taking atom coordinates and other information from a Protein Data Bank (PDB)-format file or PDB code.

References: https://github.com/av-luebben/pdb2ins