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view_change.tcl
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# Scripts to save (and restore) VMD viewpoints and animate
# a smooth 'camera move' between them.
#
#VMD --- start of VMD description block
#Name:
# view_change
#Synopsis:
# Four commands to save (and restore) VMD viewpoints, and animate
# a smooth 'camera move' between them.
#Version:
# 1.0
#Uses VMD version:
# 1.1
#Ease of use:
# 2
#Procedures:
# <li> save_viewpoint - save current viewpoint
# <li> restore_viewpoint - change current viewpoint to a saved one
# <li> move_view - smoothly move between saved viewpoints (see Warning)
# <li> write_viewpoints - write viewpoints to a disk file (read back in via 'source')
#
# Warning: this script does the math cheaply, i.e. only interpolates
# transformation matrices, many sorts of extreme viewpoint changes will look
# odd to bizzare. This is often cured by segmenting a drastic camera move into
# smaller ones.
#
#
#
# Usage:
# In the vmd console type
# save_viewpoint 1
# to save your current viewpoint
#
# type
# restore_viewpoint 1
# to restore that viewpoint (You can replace '1' with an integer < 10000)
#
# After you've saved more than 1 viewpoint
# move_view 1 43
# will restore viewpoint 1, then smoothly move to viewpoint 43.
# Note warning above. Extreme moves that cause obvious protein distortion
#can be done in two or three steps.
#
# To specify animation frames used, use
# move_view 1 43 200
# will move from viewpoint 1 to 43 in 200 steps. If this is not specified, a
# default 50 frames is used
#
# To specify smooth/jerky accelaration, use
# move_view 1 43 200 smooth
# or
# move_view 1 43 200 sharp
#
# the 'smooth' option accelerates and deccelrates the transformation
# the 'sharp' option gives constant velocity
#
# To write viewpoints to a file,
# write_viewpoints my_viewpoint_file.tcl
#
# viewpoints with integer numbers 0-10000 are saved
#
# To restore viewpoints from a file,
# source my_viewpoint_file.tcl
#
#
#See also:
# the VMD user's guide
#Author:
# Barry Isralewitz <[email protected]>
#Url:
# http://www.ks.uiuc.edu/Research/vmd/script_library/view_change/
#\VMD --- end of block
proc scale_mat {mat scaling} {
set bigger ""
set outmat ""
for {set i 0} {$i<=3} {incr i} {
set r ""
for {set j 0} {$j<=3} {incr j} {
lappend r [expr $scaling * [lindex [lindex [lindex $mat 0] $i] $j] ]
}
lappend outmat $r
}
lappend bigger $outmat
return $bigger
}
proc div_mat {mat1 mat2} {
set bigger ""
set outmat ""
for {set i 0} {$i<=3} {incr i} {
set r ""
for {set j 0} {$j<=3} {incr j} {
lappend r [expr (0.0 + [lindex [lindex [lindex $mat1 0] $i] $j]) / ( [lindex [lindex [lindex $mat2 0] $i] $j] )]
}
lappend outmat $r
}
lappend bigger $outmat
return $bigger
}
proc sub_mat {mat1 mat2} {
set bigger ""
set outmat ""
for {set i 0} {$i<=3} {incr i} {
set r ""
for {set j 0} {$j<=3} {incr j} {
lappend r [expr (0.0 + [lindex [lindex [lindex $mat1 0] $i] $j]) - ( [lindex [lindex [lindex $mat2 0] $i] $j] )]
}
lappend outmat $r
}
lappend bigger $outmat
return $bigger
}
proc power_mat {mat thePower} {
set bigger ""
set outmat ""
for {set i 0} {$i<=3} {incr i} {
set r ""
for {set j 0} {$j<=3} {incr j} {
lappend r [expr pow( [lindex [lindex [lindex $mat 0] $i] $j], $thePower)]
}
lappend outmat $r
}
lappend bigger $outmat
return $bigger
}
proc mult_mat {mat1 mat2} {
set bigger ""
set outmat ""
for {set i 0} {$i<=3} {incr i} {
set r ""
for {set j 0} {$j<=3} {incr j} {
lappend r [expr (0.0 + [lindex [lindex [lindex $mat1 0] $i] $j]) * [lindex [lindex [lindex $mat2 0] $i] $j] ]
}
lappend outmat $r
}
lappend bigger $outmat
return $bigger
}
proc add_mat {mat1 mat2} {
set bigger ""
set outmat ""
for {set i 0} {$i<=3} {incr i} {
set r ""
for {set j 0} {$j<=3} {incr j} {
lappend r [expr (0.0 + [lindex [lindex [lindex $mat1 0] $i] $j]) + [lindex [lindex [lindex $mat2 0] $i] $j] ]
}
lappend outmat $r
}
lappend bigger $outmat
return $bigger
}
proc write_viewpoints {filename} {
global viewpoints
set myfile [open $filename w]
puts $myfile "\#This file contains viewpoints for a VMD script, view_change.tcl.\n\#Type 'source $filename' from the VMD command window to load these viewpoints.\n"
puts $myfile "array set viewpoints [list [array get viewpoints]]"
#foreach mol [molinfo list] {
#
# foreach {key value} [array get viewpoints *] {
# puts $key
# lassign [split $key ","] v mol id
# for {set mat 0} {$mat <= 3} {incr mat} {
# puts $myfile "set viewpoints($v,$mol,$mat) { $viewpoints($v,$mol,$mat) }\n "
# }
# }
# #for {set v 0} {$v<=10000} {incr v} {
# # if [info exists viewpoints($v,$mol,0)] {
# # for {set mat 0} {$mat <= 3} {incr mat} {
# # puts $myfile "set viewpoints($v,$mol,$mat) { $viewpoints($v,$mol,$mat) }\n "
# # }
# # }
# #}
#}
puts $myfile "puts \"\\nLoaded viewpoints file $filename \\n\"\n"
close $myfile
}
proc save_viewpoint {view_num {mollist "all"}} {
global viewpoints
catch {unset viewpoints($view_num)}
if {$mollist == "all"} {
set mollist [molinfo list]
}
# get the current matricies
foreach mol $mollist {
set viewpoints($view_num,$mol,0) [molinfo $mol get rotate_matrix]
set viewpoints($view_num,$mol,1) [molinfo $mol get center_matrix]
set viewpoints($view_num,$mol,2) [molinfo $mol get scale_matrix]
set viewpoints($view_num,$mol,3) [molinfo $mol get global_matrix]
}
}
proc restore_viewpoint {view_num {mollist "all"}} {
global viewpoints
if {$mollist == "all"} {
set mollist [molinfo list]
}
foreach mol $mollist {
if [info exists viewpoints($view_num,$mol,0)] {
molinfo $mol set rotate_matrix $viewpoints($view_num,$mol,0)
molinfo $mol set center_matrix $viewpoints($view_num,$mol,1)
molinfo $mol set scale_matrix $viewpoints($view_num,$mol,2)
molinfo $mol set global_matrix $viewpoints($view_num,$mol,3)
} else {
puts "View $view_num was not saved"}
}
}
proc cpy_viewpoint {view_num index mol} {
## applies viewpoint to molid
global viewpoints
## get the molid of the viewpoint to copy
lassign [array get viewpoints $view_num,$index,0] key value
lassign [split $key ","] x cpymol id
## Apply the viewpoints
if [info exists viewpoints($view_num,$cpymol,0)] {
molinfo $mol set rotate_matrix $viewpoints($view_num,$cpymol,0)
molinfo $mol set center_matrix $viewpoints($view_num,$cpymol,1)
molinfo $mol set scale_matrix $viewpoints($view_num,$cpymol,2)
molinfo $mol set global_matrix $viewpoints($view_num,$cpymol,3)
}
}
proc move_view {start end {morph_frames 50} {accel smooth} } {
global viewpoints
foreach mol [molinfo list] {
if [info exists viewpoints($start,$mol,0)] {
set old_rotate($mol) $viewpoints($start,$mol,0)
set old_center($mol) $viewpoints($start,$mol,1)
set old_scale($mol) $viewpoints($start,$mol,2)
set old_global($mol) $viewpoints($start,$mol,3)
} else {
puts "Starting view $start was not saved"}
if [info exists viewpoints($end,$mol,0)] {
set new_rotate($mol) $viewpoints($end,$mol,0)
set new_center($mol) $viewpoints($end,$mol,1)
set new_scale($mol) $viewpoints($end,$mol,2)
set new_global($mol) $viewpoints($end,$mol,3)
} else {
puts "Ending view $end was not saved"}
#leave if don't have both viewpoints
if {! ([info exists viewpoints($start,$mol,0)] && [info exists viewpoints($end,$mol,0)]) } {
error "move_view failed"
}
set old_rotate($mol) $viewpoints($start,$mol,0)
set old_center($mol) $viewpoints($start,$mol,1)
set old_scale($mol) $viewpoints($start,$mol,2)
set old_global($mol) $viewpoints($start,$mol,3)
restore_viewpoint $start
set needed_rotate($mol) [sub_mat $new_rotate($mol) $old_rotate($mol)]
set needed_center($mol) [sub_mat $new_center($mol) $old_center($mol)]
set needed_scale($mol) [sub_mat $new_scale($mol) $old_scale($mol)]
set needed_global($mol) [sub_mat $new_global($mol) $old_global($mol)]
}
for {set j 0} {$j<= ($morph_frames - 1)} {incr j} {
foreach mol [molinfo list] {
#set scaling to apply for this individual frame
if {$accel == "smooth"} {
#accelerate smoothkly to start and stop
set theta [expr 3.1415927 * (0.0 + $j)/($morph_frames - 1)]
set scale_factor [expr (1 -cos ($theta) ) /2]
} else {
#infinite acceleration to start and stop
set scale_factor [expr (0.0 + $j)/($morph_frames - 1)]
}
if {$j == $morph_frames} {
#correct for roundoff errors, so ends in correct position
set scale_factor 1.0
}
set current_rotate($mol) [add_mat $old_rotate($mol) [
scale_mat $needed_rotate($mol) $scale_factor]
]
set current_center($mol) [add_mat $old_center($mol) [
scale_mat $needed_center($mol) $scale_factor]
]
set current_scale($mol) [add_mat $old_scale($mol) [
scale_mat $needed_scale($mol) $scale_factor]
]
set current_global($mol) [add_mat $old_global($mol) [
scale_mat $needed_global($mol) $scale_factor]
]
molinfo $mol set rotate_matrix $current_rotate($mol)
molinfo $mol set center_matrix $current_center($mol)
molinfo $mol set scale_matrix $current_scale($mol)
molinfo $mol set global_matrix $current_global($mol)
}
display update
}
}