Wed, 12/27/2017 - 10:15 am
Chem3D is a package for 3D visualization of molecules in Igor 7.03 or higher.
There are many excellent molecular graphics systems, but if you are using Igor for chemical purposes, it may be useful to have 3D molecular visualization in Igor.
Chem3D uses a scatter plot to display the molecule(s) in a Gizmo window. A panel is attached to modify and control many aspects of the Gizmo and of the molecular display. This includes: axis on/off, labels, ranges, ticks; window position and zoom; bonds, atom sizes (including van der Waals); atom numbers; molecular rotation; etc.
The control panel can be minimized, and is hidden when the Gizmo window is not active. When you reactivate it, the panel reappears. Multiple Chem3D Gizmos can be used.
The 3D window can be exported as a 2D image or converted to a 2D image wave within Igor.
The Chem3D menu provides access to Chem3D-specific helps as well as Igor Gizmo panels and helps.
A user guide is included as well as an example molecular complex.
Two procedure files are needed: Chem3Dprocs are an independent module, to avoid conflict with other namespaces. The two necessary control hooks cannot be in an independent module and are found in Chem3Dhooks.
Current Project Release
|Version Date:||Fri, 04/06/2018 - 03:11 pm|
|Version Patch Level:||3|
1.3a keeps the aspect ratios of the gizmo and 2D images constant, to make resizing the windows less finicky.
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