ATOMS

ATOMS Features

ATOMS uses lattice translations and space-group symmetry to produce as many generated atoms as desired for a crystal or polymer, using any of several boundary options: unit cell, chosen crystal forms, translations limits, slice (growth layer), or sphere. Bonds and polyhedra are located automatically, from minimal specifications. After generation of all atoms, it is possible to move or otherwise modify individual atoms. Molecules can be isolated in crystal structures and multiple structure fragments can be rotated and translated independently.

There are many options for rotation in real-time and analytically, including alignment on crystal vectors and/or faces. The drawing can be scaled automatically for a specified frame, or in absolute units.

ATOMS can import several kinds of atomic-coordinate files, including SHELX, CIF, CCDC, ICSD, DBWS, LHPM, RIETAN and PDB. A free-form input option makes it easy to read most other text files containing atomic coordinates.

Printed and file output is made at the maximum resolution of the printer or other device, scaled automatically to the specified frame if desired. Output to a PostScript printer can be made directly in the PostScript language for maximum speed and resolution. Windows and Mac OS versions of ATOMS will both write Encapsulated PostScript, VRML and HPGL files. The Windows version will write Windows metafiles (standard, placeable or enhanced), and .BMP, .PCX or .TIF raster files. The Macintosh version will write PICT files as either Pictures (metafiles) or bitmaps, and QuickDraw 3D 3DMF files. All output may be either color or black-and-white. Colors for color display and output and gray shades for black-and-white output are entered separately.