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.