File Menu (Startup)
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To start up ATOMS, you must select either New to enter an all-new data set; Open to open a previously-saved ATOMS data file; or Import File to open a data file written by other software.

New - Step-by-step input of a new ATOMS data set.

Open - Open an old ATOMS data file.

Recent File List (Windows only) - The last four ATOMS data (.str) files can be opened by selecting here.

Import File - Shows a pop-up menu with the file types currently supported. This includes:

----CCDC FDAT files from the Cambridge Crystallographic Data Centre.

----SHELX.INS files from the program system of Prof. G. Sheldrick.

----CIF - Crystallographic Information Files.

----DBWS/LHPM Rietveld input files.

----ICSD Inorganic Crystal Structure Database files.

----ORTEP Original or ORTEP II atom information.

----XTLVIEW Drawing program.

----VIBRAT (.MOT) Graphic output files from VIBRATZ.

----PDB Protein Data Bank files.

----RIETAN Rietveld program files.

----GSAS Data files (.EXP) files from the Los Alamos Lab system - may include magnetic vectors.

----AM MINERAL. Data files from the American Mineralogist structure data base.

----FULLPROF. All-purpose refinement program - may include magnetic vectors.

----Free Form (.inp). This allows input of atomic coordinates and other information from almost any source.

---- Ravel ATOMS. This program is not the same as ATOMS by Shape Software, but is for EXAFS Analysis.

---- WIEN2K. The program package WIEN2k performs electronic structure calculations of solids using density functional theory (DFT).


Page Setup - Set the page size and select the printer.

Exit/Quit - Quit the ATOMS program.

---------Windows and Linux Only -------------------------------

Note that you can also start ATOMS for Windows from the DOS or Linux command line, reading in an ATOMS data file or an import file.