"geometry" query molecular geometry 1.0 --------------------------------------- REQUIREMENTS: VMD Version 1.8 or greater DESCRIPTION: This script has some procs to do dihedral calculations in a relatively efficient fashion (as efficient as I could make it in Tcl, anyway) and is designed to do well when you want a bunch of values for a given frame, rather than for a bunch of frames. I originally wrote it for Ramaplot but it was too slow for interactive purposes, hence the new phi/psi atom selection keywords. PROCEDURES: EXAMPLE USAGE: DOWNLOAD THE FILE: geometry.tcl AUTHORS: Justin Gullingsrud