Difference between revisions of "Get one frame of the DCD"
From Computational Biophysics and Materials Science Group
(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...") |
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| − | + | 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 | 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 | animate write pdb unsym_last.pdb beg 1 end 1 | ||
quit | quit | ||
Latest revision as of 18:11, 7 May 2014
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: ######################################### 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
