Step 2 Preparation of Vibrational Mode Displays

• Chime version 2 plugin for PC-Windows (includes JCAMP viewer capability)

Method

• You must have a JCAMP-DX format IR spectrum. Many can be found on-line at NIST. There are several variants of format, but all are automatically read by Chime. Most computer driven spectrometers are capable of outputing or converting to JCAMP format. The Grams/32 sofware package can do such conversions, for example. The expected extension for such files is *.DX or *.JDX. Such files are in ASCII, and may be editted with a text editor.
• You must have your WWW browser configured for use with Chime.
• You should be prepared to configure the appropriate <EMBED> HTML statements that refer to any PDB, XYZ, or DX/JDX files, using Chime scripting commands.
• You must edit the DX/JDX files containing the spectra, if you want to enable the direct linkage of spectral regions to Chime animated windows. See http://wwwchem.uwimona.edu.jm:1104/software/jcampdx.html

User controlled options

• Initial appearance of a molecule in a Chime window (animation on/off, spinning on/off, display mode stick/ball-and-stick/cpk, etc.)
• Initial appearance of JCAMP-DX spectrum.
• Definition of spectral regions within a JCAMP-DX spectrum to link to specific Chime animation XYZ files.

Result

• A choice of display formats for showing both molecules and spectra in multiple window EMBED formats. Examples are on the subsequent page.