- Cambridge Structural Database (CSD) (NYU holds campus license)
- Inorganic Crystal Structure Database (ICSD) (NYU holds campus license)
- American Mineralogist Crystal Structure Database
- Mineralogy Database
- Crystallography Open Database
- Database of Zeolite Structures
- Protein Data Bank
- SHELX software from George Sheldrick
- SHELXL instructions
- ShelXle from Christian B. Hübschle
- PLATON from Ton Spek
- DIAMOND 3 by Crystal Impact