Get one frame of the DCD
From Computational Biophysics and Materials Science Group
Revision as of 18:09, 7 May 2014 by Kevin (Talk | contribs) (Created page with "A TCL script to load one frame of the input dcd and write as a pdb. Use it as '''vmd -dispdev text -e writeframe.tcl'''. ######################################### ## A TCL s...")
A TCL script to load one frame of the input dcd and write as a pdb. Use it as vmd -dispdev text -e writeframe.tcl.
######################################### ## A TCL script to load one frame of the input dcd and write as a pdb ## Kevin May 2014 ## Usage: vmd -dispdev text -e writeframe.tcl ## Input: dcd ## Output: pdb ## Units: ## Other Notes: ######################################### set molnum [mol new /nfs/disk3/cchan2242/BAR-PH/raw/unsym/ionized.pdb type pdb waitfor all] mol addfile /nfs/disk3/cchan2242/BAR-PH/raw/unsym/NPT-11.dcd type dcd first 49999 last 49999 waitfor all animate write pdb unsym_last.pdb beg 1 end 1 quit
