invalid command name "proc"
while executing
"proc CalculeRibbon {mol} {
global Rad
global LesVecs
DecortiqueUnPDB "${mol}.pdb"
global PDB_[set mol]_AtmXYZ
global PDB_[set mol..."
(in namespace eval "::request" script line 1)
invoked from within
"namespace eval ::request $script"
("::try" body line 12)
OUTPUT BUFFER:
proc CalculeRibbon {mol} {
global Rad
global LesVecs
DecortiqueUnPDB "${mol}.pdb"
global PDB_[set mol]_AtmXYZ
global PDB_[set mol]_NmrRes
set ch [array names PDB_[set mol]_AtmXYZ]
set LU {}
set LV {}
foreach p [set PDB_[set mol]_AtmXYZ($ch)] {
set ca1 [lindex $p 1]
lappend LU $ca1
set ca1 [lindex $p 2]
set ca2 [lindex $p 3]
set V [V_VV $ca2 - $ca1]
set n [expr {1.0/[S_nV $V]}]
set V [V_VS $V * $n]
lappend LV $V
}
set len [llength $LV]
set u0 [lindex $LU 0]
GetRad $LU
lappend newv $u0
foreach v [lrange $LV 1 end] {
set norm 0.0
set norm [S_VV $u0 * $v]
if {$norm < 0.0} {set v [V_SV -1. * $v]}
set u0 $v
lappend newv $v
}
set LV $newv
# Lissage 3D par polynome Lagrange ordre 5
puts "LU avant [llength $LU]"
set LNewU [Lissage3D $LU]
puts "LU apres [llength $LNewU]"
set LNewV [Lissage3D $LV]
# calcul des normales
set L1 [lrange $LNewU 2 [expr {4*($len-1)}]]
set L2 [lrange $LNewU 0 [expr {4*($len-1)-2}]]
set LV [lrange $LNewV 1 [expr {4*($len-1)-1}]]
foreach x1 $L1 x2 $L2 v $LV {
set u0 [V_VV $x1 - $x2]
set w [Vectoriel $u0 $v]
set norm [S_nV $w]
if {$norm > 0.001} {set norm [expr {1.0/sqrt($norm)}]}
lappend Lw [V_SV -$norm * $w]
}
# les extremites
set Lw [linsert $Lw end [lindex $Lw end]]
set Lw [linsert $Lw 0 [lindex $Lw 1]]
set d1 0.5
set d2 0.5
set col1 [list 1.0 0.3 0.3]
set col2 [list 1.0 0.3 0.3]
set kstep 1
set LesVecs {}
for {set i 0} {$i < $len-1} {incr i} {
# compute the coordinates of points and of the normals
for {set k [expr {4*$i}]} {$k < 4*($i+1)} {incr k} {
# couleurs
set mlt [expr {$k-4.*$i}]
set c1 [V_VV $col1 + [V_VS [V_VS [V_VV $col2 - $col1] * 0.25] * $mlt]]
set c2 [V_VV $col1 + [V_VS [V_VS [V_VV $col2 - $col1] * 0.25] * $mlt]]
# points
set d [expr {$d1 + ($d2-$d1)*0.25*$mlt}]
set uk [lindex $LNewU $k]
set up [lindex $LNewU [expr {$k+1}]]
set vk [lindex $LNewV $k]
set vp [lindex $LNewV [expr {$k+1}]]
set wk [lindex $Lw $k]
set wp [lindex $Lw [expr {$k+1}]]
set p1 [V_VV $uk - [V_SV $d * $vk]]
set p2 [V_VV $uk + [V_SV $d * $vk]]
set d [expr {$d1 + ($d2-$d1)*0.25*($k+1.-4.*$i)}]
set p3 [V_VV $up - [V_SV $d * $vp]]
set p4 [V_VV $up + [V_SV $d * $vp]]
if {$k % 2} {
lappend LesVecs $wk $c1 $p1 $wp $c2 $p3 $wk $c1 $p2
lappend LesVecs $wk $c1 $p2 $wp $c2 $p3 $wp $c2 $p4
} else {
lappend LesVecs $wk $c1 $p1 $wk $c2 $p4 $wk $c1 $p2
lappend LesVecs $wk $c1 $p1 $wp $c2 $p3 $wp $c2 $p4
}
}
}
return
}
proc Lissage3D l {
# lissage par polynomes de Lagrange d ordre 5
set n [llength $l]
set km [expr {4*($n-1)+1}]
set cof [list 0.1 0.125 0.25 0.375 0.50 0.625 0.75 0.875 1.0 0.875 0.75 0.625 0.50 0.375 0.25 0.125]
for {set k 0} {$k < $km} {incr k} {
set xout($k) [list 0.0 0.0 0.0]
set norms($k) 0.0
}
set xout([expr $km-1]) [lindex $l end]
set C0 6144.0
set C1 -1536.0
set C2 1024.0
set i 0
set lx1 [lrange $l 0 end-4]
set lx2 [lrange $l 1 end-3]
set lx3 [lrange $l 2 end-2]
set lx4 [lrange $l 3 end-1]
set lx5 [lrange $l 4 end]
foreach v1 $lx1 v2 $lx2 v3 $lx3 v4 $lx4 v5 $lx5 {
for {set k 0} {$k < 16} {incr k} {
set kk0 "$k."
set kk4 [expr {$k - 4.0}]
set kk8 [expr {$k - 8.0}]
set kk12 [expr {$k - 12.0}]
set kk16 [expr {$k - 16.0}]
set c0 [expr {$kk4 * $kk8 * $kk12 * $kk16 / $C0}]
set c1 [expr {$kk0 * $kk8 * $kk12 * $kk16 / $C1}]
set c2 [expr {$kk0 * $kk4 * $kk12 * $kk16 / $C2}]
set c3 [expr {$kk0 * $kk4 * $kk8 * $kk16 / $C1}]
set c4 [expr {$kk0 * $kk4 * $kk8 * $kk12 / $C0}]
foreach {x1 y1 z1} $v1 {}
foreach {x2 y2 z2} $v2 {}
foreach {x3 y3 z3} $v3 {}
foreach {x4 y4 z4} $v4 {}
foreach {x5 y5 z5} $v5 {}
set lecof [lindex $cof $k]
set qipk [expr {4*$i+$k}]
foreach {xo yo zo} [set xout($qipk)] {}
set xo [expr {$xo + $lecof*($x1*$c0 + $x2*$c1 + $x3*$c2 + $x4*$c3 + $x5*$c4)}]
set yo [expr {$yo + $lecof*($y1*$c0 + $y2*$c1 + $y3*$c2 + $y4*$c3 + $y5*$c4)}]
set zo [expr {$zo + $lecof*($z1*$c0 + $z2*$c1 + $z3*$c2 + $z4*$c3 + $z5*$c4)}]
set xout($qipk) [list $xo $yo $zo]
set norms($qipk) [expr {[set norms($qipk)] + $lecof}]
}
incr i
}
for {set k 0} {$k < $km-1} {incr k} {
set xout($k) [V_VS [set xout($k)] / [set norms($k)]]
}
foreach k [lsort -integer [array names xout]] {
lappend Lo [set xout($k)]
}
return $Lo
}
proc GetRad {l} {
global pgl
global xc yc zc
global Rad
foreach a {xc yc zc xm ym zm xx yx zx} {
set $a 0.0
}
foreach e $l {
foreach {x y z} $e {}
foreach a {x y z} b {xm ym zm} c {xx yx zx} {
if {[set $a] < [set $b]} {set $b [set $a]}
if {[set $a] > [set $c]} {set $c [set $a]}
}
}
set Rad -999999.
foreach a {xc yc zc} b {xm ym zm} c {xx yx zx} {
set $a [expr {0.5 * ([set $b] - [set $c])}]
if {abs([set $b]-[set $c]) > $Rad} {set Rad [expr {abs([set $b]-[set $c])}]}
}
set pgl(xMin) $xm
set pgl(yMin) $ym
set pgl(zMin) $zm
set pgl(xMax) $xx
set pgl(yMax) $yx
set pgl(zMax) $zx
set pgl(xCen) $xc
set pgl(yCen) $yc
set pgl(zCen) $zc
puts "radius : $Rad"
set fmt [format "Centre : %6.2f %6.2f %6.2f" $pgl(xCen) $pgl(yCen) $pgl(zCen)]
puts "$fmt"
set fmt [format "Minimum : %6.2f %6.2f %6.2f" $pgl(xMin) $pgl(yMin) $pgl(zMin)]
puts "$fmt"
set fmt [format "Maximum : %6.2f %6.2f %6.2f" $pgl(xMax) $pgl(yMax) $pgl(zMax)]
puts "$fmt"
return $Rad
}
proc light_color3fv {a b c} {
# puts "a= $a b= $b c= $c"
set le [list $a $b $c 0.0]
glMaterialfv GL_FRONT_AND_BACK GL_AMBIENT_AND_DIFFUSE $le
return
}