Corel Draw scripts developed for high-quality ready-to-publications drawing of chemical structures, spectra, PES profiles.
All the scripts are developed originally at CorelDraw v.11. They can be adapted for other versions of Corel Draw by changing the number of the Automation statement inside the script to the number of the corresponding version.
- MolScript (updated version which can draw both ball-and stick and wireframe models) — script for high-quality ready-to-publications drawing of chemical structures. It takes the “last view” cartesian coordinates from the Moltran .MOU files. So, it can visualize the structures calculated by all the quantum chemical programs known to Moltran including Gaussian, GAMESS, Priroda, CFOUR, and various XYZ-formats.
- Spectr — a script for visualizing the IR spectra calculated by QC program. The input data (frequencies and IR intensities) are taken from the Moltran .MOU file generated after processing the QC program output by Moltran. All the customized parameters (width, scale factors etc) for drawing are inside the scripts.
- ElectronSpectrum- the same as Spectr11 but for drawing of electronic spectra calculated by Gaussian. It takes data from .EXS files generated by the program ReadExcitedStates.exe which extracts it from the Gaussian output.
- Pltdraw — draw the orbital energies allowing comparison of the orbital energies of several molecules. It takes the input data from the .PLT file generated by the LEVELS program from Gaussian outputs.
- CorelDRAW11.gms — gms file of CorelDraw v.11 containing the script for drawing of PES profiles described in .EDG file. It is convenient to compile .EDG from simplier .EDX file using edx2edg utility (unrar it and check the sample file socl2-2h2o.edx). Commands: (1) edx2edg a.edx (2) open CorelDraw->VisualBasic->PltDraw1, set InputFile to “a.edg”, run the script (F5).
All the files are compressed by RAR due to the security requirements of the web site. All the scripts requres Corel DRAW ™ suite including the CorelScript tool.