TCL Write a pdb
From Computational Biophysics and Materials Science Group
Revision as of 14:06, 3 October 2015 by Kevin (Talk | contribs) (Created page with "vm_writepdb.tcl ################################################# ## TCL script to write a pdb of initial structure ## Kevin Apr 2014 ## Usage vmd -dispdev text -e <tcl>...")
vm_writepdb.tcl
################################################# ## TCL script to write a pdb of initial structure ## Kevin Apr 2014 ## Usage vmd -dispdev text -e <tcl> ## Output a pdb file ################################################# mol new ../../../ionized.pdb set sel [atomselect top protein] $sel writepdb initial.pdb mol delete all
vm_autopsf.tcl
mol new ../../../ionized.pdb set sel [atomselect top protein] $sel writepdb first.pdb mol delete all package require autopsf mol new first.pdb autopsf -mol top -top top_all36_prot.rtf
