cctbx - Index of online exmples

• Dictionary-based validation of CIF files

• Explore symmetry

• Browse alternative space group settings

• Gallery of direct-space asymmetric units

• Determination of lattice symmetry

• Structure factor calculation

• Structure factor calculation from PDB file

• EMMA: Euclidean Model Matching

• Phase-O-Phrenia: Evaluation of substructures used in SIR or SAD phasing

• SHELX LATT & SYMM records

• Assignment of Wyckoff positions

• Fractionalization and orthogonalization of coordinates

• Apply change-of-basis

• Change space group setting

• Change hand of crystal structure

• List all symmetry axes in the unit cell

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  The source code for cctbx: cctbx.

  Documentation is available here.

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