Author Archives: Dan

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My Christmas list:

  • Volkl Karma 177cm
  • Goretex gloves (my old ones are being held together with duct tape)
  • New deburring file

    • Posted on by

    Wow, it’s been a while since I updated anything here. I guess I’ve been busy, with, uh, research. And my math class of doom. I almost dropped the class because they assigned a ridiculous homework assignment over Thanksgiving, but I didn’t, and ended up killing myself getting the stupid assignment done. Anyway, at least this class doesn’t have exams…

    Posted in MIT

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    Here’s a TCL script written for use with VMD to automatically generate a bunch of contours from grid files in a specific directory. The script saves the viewing angle and other rendering aspects.

    #Set the directory for looking for files here
    set dir "/home/cogswell/Downloads/dx/30-blend-95"
    set currentDir [pwd]
    cd $dir

    #set height and width
    #set h 500
    #set w 500
    set h ["%h"]
    set w ["%w"]

    #Set global defaults and preferences
    axes location off
    display antialias on
    display depthcue on

    # save the current display state and representation style
    set viewpt [molinfo top get {center_matrix rotate_matrix scale_matrix global_matrix}]
    set myrep [molinfo top get {rep}]
    mol default style $myrep

    foreach f [glob "p*.dx"] {
    set file [exec basename $f ".dx"]
    mol off top
    mol new "$f"
    #mol addrep top
    molinfo top set {center_matrix rotate_matrix scale_matrix global_matrix} $viewpt
    render POV3 "$file.pov" povray +H%h +W%w -I%s -O"$file.png" -D +X +A
    mol delete top
    }

    #return to the original molecule and directory
    molinfo top set {center_matrix rotate_matrix scale_matrix global_matrix} $viewpt
    mol on top