default off2msms.py Popular

Published on 01 August 2012 By Anonymous 1569 downloads

off2msms.py

This script converts a "name.off" file into the pair "name.off.vert" and "name.off.face" MSMS files. If also an optional xyzr file (coordinates+radius) file is provided then for each vertex the nearest atom is found and it is saved into the MSMS file. This allows to load the files into VMD and have all the info needed for surface per-atom colouring. Note that when VMD loads an externally computed surface it does not load all the information but only the raw triangulated surface. In order to correctly load all the info a trick is needed (see msms_redirect).