CompuServe Messages

Andy, Things are quiet here aren't they? It is a bit louder over on Internet, where there is a HyperChem email users' group. Anyway, I made up a while ago two scripts that do what you want. I just tried to upload them into the libraries, but apparently there is no space there, so let's see if they'll fit into a message. Here goes: ; saveir.scr ;=========== ; Save the existing IR spectrum. This script ; produces or writes over the file "\hyper\chem_ir.scr" ; which can be run later to recover the IR data. ; ; When running chem_ir.scr to regenerate the spectrum ; you must first have the appropriate molecule on the screen. query-response-has-tag true omsgs-to-file \hyper\chem_ir.scr status-message "Saving IR spectrum to \hyper\chem_ir.scr" ;Save computational procedure used. calculation-method ? semi-empirical-method ? ;Save semi-empirical options. quantum-total-charge ? multiplicity ? scf-convergence ? max-iterations ? accelerate-scf-convergence ? uhf ? excited-state ? ;Save spectrum ir-band-count ? ir-frequency ? ir-intensity ? ir-intensity-components ? ir-normal-mode ? vibrational-mode ? status-message "Spectrum saved"