cctbx - Structure factor calculation from PDB file

Minimum d-spacing (highest resolution):

Structure factor algorithm: Automatic choice Direct Summation FFT Approximation

Atomic form factors approximations: D. Waasmaier and A. Kirfel, Acta Cryst. (1995). A51, 416-431 International Tables for Crystallography, Volume C 1992 N-Gaussian (IUCr Computing Commission Newsletter No. 3, 2004)

Coordinates:

• Please copy and paste the whole content of your PDB file.
• A CRYST1 record must be present and define both the unit cell parameters and the space group symbol.
• Atomic chemical types should be defined in columns 77-78 (right-justified).