VMD Home
Installation
$install_bin_dir=/home/usr/bin
$install_library_dir=/home/usr/share/$install_name
./configure
cd src
make install
Resources
Tcl script
Run a script
source myscript.tcl
To run a script out side of VMD
GUI interface (Note: vmd state file is also tcl script!)
vmd -dispdev text -e myscript.tcl
Startup script
On startup, VMD searches .vmdrc in the following paths: '.', '$HOME', '$VMDDIR'. ONLY the first file found will be executed.
What I did is to copy $VMDDIR to $HOME, and add one line at the end of the file (to load some useful functions).
...
source /home/yxue/codelib/tcl/vmd.tcl
Access plugin in text mode
vmd -dispdev text
# Now we are in the text console
package require saltbr
# Now saltbr command is available
Make Movie
Windows
Note: videomach is required. It is a shareware. You can download it here [videomach.rar An unlimited version is also included just for testing
Suppose we are going to generate a movie for denatured drkN-SH3. We have a bunch of dcd files in D:\nathan_drk
Load psf file in VMD first.
If there are only a couple of dcd files, manually loading dcd files is ok. However, we have 100 dcd files here, so the better solution is to use a loop in VMD console to load them. Considering the limited memory, let's load them 10 by 10. The tcl code is posted here. You'd better to save it as, say, loadtraj.tcl under C:/Documents and Settings/yxue, and run it in VMD console by “source loadtraj.tcl”.
set dir d:/nathan_drk
set n 1
for {set i [expr ($n-1)*10+1]} {$i <= [expr $n*10]} {incr i} {
set fndcd $dir/traj_$i.dcd
mol addfile $fndcd waitfor all
}
turn off coordinate icon by menu: display→Axes→off
Adjust windows size of “VMD display” which decides the display size of video
choose menu “Extensions”/“Visualization”/“Movie Maker”
In “VMD movie generator” dialog, choose “movie settings”→trajectory
click “make movie”
Linux
Make gif animation