VMD-L Mailing List

From: Yuan Feng (yuanf_at_uci.edu)
Date: Sun Aug 17 2008 - 18:51:56 CDT

Hello,

I am writing a tcl script to calculate secondary sturcure for a trajectory based on dssp. I use "writepdb" to generate a pdb file for every frame, and then use "exec dssp ex.pdb ex.dssp" to call the dssp program. Then I parse the dssp file to get information. However, I find it does not work if I source the tcl script, althought it works if I enter them in the tk console. Also, it only works for one frame. Does anyone know how vmd call stride (I cannot find the scripit of "ssrecalc") so I can learn from that?