3D Printer Files
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Dialog Box - called from: File menu

This is for the particular types of files which can be read by 3D printing software. StereoLithograpy (.stl) files should be universally read, but they are bulky and have no color information. Wavefront (.obj) files do allow color, although few low-cost printing programs accept color. Colors are as specified in the Atoms, Bonds and Polyhedra sections of the Input1 menu.

Only spherical atoms, cylindrical bonds and polyhedra will be included in the files. The current drawing mode will be ignored. Bonds with radius less than 0.03A will be omitted, and atoms connected only by line bonds may be left isolated. If there are planar polyhedra, their thickness (set in the 3D Parameters/Polyhedra dialog in the Input2 menu) must be greater than 0.05 or they will be omitted. This dialog should warn if either of these conditions is not met.

Expand polyhedra. Polyhedra may be expanded to allow some overlap where they contact each other at corners or edges. The expanded corners will be on a line from the center at the specified distance out from the ligand center.

Apply scale. It may be convenient to use the scale factor in this dialog to convert to printer coordinates, although this could be highly variable depending on the number of atoms in the structure.

Separate objects/colors. Atoms, bonds and polyhedra may be designated as separate objects (with color and other 3D materials for .obj files). If not, everything is simply part of a single object. Some programs may ignore the separate objects, but some may allow revision or deletion of the separate objects. If this is selected for .obj files, a separate .mtl file is written to contain the color and other material properties (specified in the 3D materials dialog).

The Windows program AccuTrans 3D will read VRML (.wrl) files written by ATOMS and convert them to .stl, .obj and many other formats.