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Rev 17003 Rev 17079
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!endif
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!endif
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slib_author=Bernadette, Perrin-Riou
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slib_author=Bernadette, Perrin-Riou
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slib_title=3Dviewer
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slib_title=3Dviewer
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- 
 
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slib_example=[[3,1;1,0,0;0,1,0;0,0,1],[3,1;1,0,0;0,1,0;0,0,2],[3,1;1,0,0;0,1,0;0,0,3];3,0,1,2],bondcolor=red scale=0.8 height=500 width=500 show=[,AA,FF] id=tr animstep=3\
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slib_example=j87_augmented_sphenocorona,bondcolor=red id=1 show=[,AA,FF]\
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j87_augmented_sphenocorona,bondcolor=red id=1 show=[,AA,FF]\
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rhombicosidodecahedron,label=false scale=1 height=400 width=400 bgcolor=blue id=2\
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rhombicosidodecahedron,label=false scale=1 height=400 width=400 bgcolor=blue id=2\
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cube,label=false scale=0.8 height=300 width=300 id=3 show=[,AA,FF]\
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cube,label=false scale=0.8 height=300 width=300 id=3 show=[,AA,FF]\
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[14,6;-1.00,-1.00,-1;1.00,-1.00,-1;1.00,1.00,-1;-1.00,1.00,-1;-1.00,-1.00,1.00;1.00,-1.00,1.00;-1.00,1.00,-1.00;-1.00,1.00,1.00;1.00,1.00,-1.00;1.00,1.00,1.00;-1.00,-1.00,1.00;1.00,-1.00,1.00;1.00,-1.00,1.00;1.00,1.00,1.00;4,10,7,9,11;4,6,8,9,7;4,0,6,7,4;4,2,1,12,13;4,1,0,4,5;4,0,1,2,3],scale=0.8 height=500 width=500 show=[,AA,FF]\
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[14,6;-1.00,-1.00,-1;1.00,-1.00,-1;1.00,1.00,-1;-1.00,1.00,-1;-1.00,-1.00,1.00;1.00,-1.00,1.00;-1.00,1.00,-1.00;-1.00,1.00,1.00;1.00,1.00,-1.00;1.00,1.00,1.00;-1.00,-1.00,1.00;1.00,-1.00,1.00;1.00,-1.00,1.00;1.00,1.00,1.00;4,10,7,9,11;4,6,8,9,7;4,0,6,7,4;4,2,1,12,13;4,1,0,4,5;4,0,1,2,3],bondcolor=red scale=0.8 height=500 width=500 show=[,AA,FF]\
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[14,6;-1.00,-1.00,-1;1.00,-1.00,-1;1.00,1.00,-1;-1.00,1.00,-1;-1.00,-3.00,-1.00;1.00,-3.00,-1.00;-3.00,-1.00,-1.00;-3.00,-3.00,-1.00;-5.00,-1.00,-1.00;-5.00,-3.00,-1.00;-3.00,-5.00,-1.00;-5.00,-5.00,-1.00;3.00,-1.00,-1.00;3.00,1.00,-1.00;4,10,7,9,11;4,6,8,9,7;4,0,6,7,4;4,2,1,12,13;4,1,0,4,5;4,0,1,2,3],scale=0.8 height=500 width=500 show=[,AA,FF]\
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[14,6;-1.00,-1.00,-1;1.00,-1.00,-1;1.00,1.00,-1;-1.00,1.00,-1;-1.00,-3.00,-1.00;1.00,-3.00,-1.00;-3.00,-1.00,-1.00;-3.00,-3.00,-1.00;-5.00,-1.00,-1.00;-5.00,-3.00,-1.00;-3.00,-5.00,-1.00;-5.00,-5.00,-1.00;3.00,-1.00,-1.00;3.00,1.00,-1.00;4,10,7,9,11;4,6,8,9,7;4,0,6,7,4;4,2,1,12,13;4,1,0,4,5;4,0,1,2,3],bondcolor=blue scale=0.8 height=500 width=500 show=[,AA,FF]\
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[14,6;-1.00,-1.00,-1;1.00,-1.00,-1;1.00,1.00,-1;-1.00,1.00,-1;-1.00,-2.41,0.414;1.00,-2.41,0.414;-2.41,3.25E-19,-2.17E-19;-2.41,-1.41,1.41;-2.41,1.41,1.41;-2.41,0.E-18,2.83;-1.00,-2.41,2.41;-1.00,-1.00,3.83;2.41,-1.00,0.414;2.41,1.00,0.414;4,10,7,9,11;4,6,8,9,7;4,0,6,7,4;4,2,1,12,13;4,1,0,4,5;4,0,1,2,3],scale=0.8 height=500 width=500 show=[,AA,FF]\
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[14,6;-1.00,-1.00,-1;1.00,-1.00,-1;1.00,1.00,-1;-1.00,1.00,-1;-1.00,-2.41,0.414;1.00,-2.41,0.414;-2.41,3.25E-19,-2.17E-19;-2.41,-1.41,1.41;-2.41,1.41,1.41;-2.41,0.E-18,2.83;-1.00,-2.41,2.41;-1.00,-1.00,3.83;2.41,-1.00,0.414;2.41,1.00,0.414;4,10,7,9,11;4,6,8,9,7;4,0,6,7,4;4,2,1,12,13;4,1,0,4,5;4,0,1,2,3],scale=0.8 height=500 width=500 show=[,AA,FF]\
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[14,6;-1.00,-1.00,-1;1.00,-1.00,-1;1.00,1.00,-1;-1.00,1.00,-1;-1.00,-1.62,0.902;1.00,-1.62,0.902;-1.62,0.809,-0.412;-1.62,0.191,1.49;4.34E-19,1.93,-0.0489;4.34E-19,1.31,1.85;-0.500,-1.46,1.60;1.12,-0.345,1.97;1.62,-1.00,0.902;1.62,1.00,0.902;4,10,7,9,11;4,6,8,9,7;4,0,6,7,4;4,2,1,12,13;4,1,0,4,5;4,0,1,2,3],scale=0.8 height=500 width=500 show=[SS,AA,FF]\
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[14,6;-1.00,-1.00,-1;1.00,-1.00,-1;1.00,1.00,-1;-1.00,1.00,-1;-1.00,-1.62,0.902;1.00,-1.62,0.902;-1.62,0.809,-0.412;-1.62,0.191,1.49;4.34E-19,1.93,-0.0489;4.34E-19,1.31,1.85;-0.500,-1.46,1.60;1.12,-0.345,1.97;1.62,-1.00,0.902;1.62,1.00,0.902;4,10,7,9,11;4,6,8,9,7;4,0,6,7,4;4,2,1,12,13;4,1,0,4,5;4,0,1,2,3],scale=0.8 height=500 width=500 show=[SS,AA,FF]\
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!exit
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!exit
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:proc
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:proc
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!reset slib_option
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!reset slib_option slib_scriptanim slib_format slib_animstep
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slib_data = !item 1 of $wims_read_parm
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slib_data =!item 1 of $wims_read_parm
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slib_data=!declosing $slib_data
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slib_data=!declosing $slib_data
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slib_option= !item -1 of $wims_read_parm
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slib_option= !item -1 of $wims_read_parm
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!default slib_cnt=0
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slib_cnt= $[$slib_cnt +1]
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!for slib_a in label,scale,box,bonds,bgcolor,bondcolor,atomcolor,facecolor,format,width,height,id, show
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!for slib_a in animstep label,scale,box,bonds,bgcolor,bondcolor,atomcolor,facecolor,format,width,height,id, show
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  !reset slib_$slib_a
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  !reset slib_$slib_a
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  slib_$slib_a=!getopt $slib_a in $slib_option
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  slib_$slib_a=!getopt $slib_a in $slib_option
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!next slib_a
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!next slib_a
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!default slib_animstep=1
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!default slib_label=false
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!default slib_label=false
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!default slib_bgcolor=white
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!default slib_bgcolor=white
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!default slib_bondcolor=yellow
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!default slib_bondcolor=yellow
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!default slib_box=true
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!default slib_box=true
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!default slib_bonds=true
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!default slib_bonds=true
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slib_cnt_word=!wordcnt $slib_data
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slib_cnt_word=!wordcnt $slib_data
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slib_cnt_item=!itemcnt $slib_data
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slib_cnt_item=!itemcnt $slib_data
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!if $slib_cnt_word=1 and $slib_cnt_item=1
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!if $slib_cnt_word=1 and $slib_cnt_item=1
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  slib_data=!record 0 of data/polyedre_off/$slib_data.off
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  slib_data=!record 0 of data/polyedre_off/$slib_data.off
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  slib_format=off
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  slib_format=off
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!else
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  slib_data=!replace internal , by $ $ in $slib_data
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!endif
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!if $slib_format issametext off
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  slib_atomes=$slib_data
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  slib_atomes=$slib_data
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  slib_atomes=!translate ; to $\
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  slib_atomes=!translate ; to $\
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$ in $slib_atomes
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$ in $slib_atomes
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!else
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!else
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  !if $slib_animstep>1
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  slib_atomes=$slib_data
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    slib_atomes=$(slib_data[1;])
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    !for slib_k=1 to $slib_animstep
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      !set slib_atomes$slib_k=!item $slib_k of $slib_atomes
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      !set slib_atomes$slib_k=!declosing $(slib_atomes$slib_k)
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      !set slib_atomes$slib_k=!replace internal , by $ $ in $(slib_atomes$slib_k)
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      !set slib_atomes$slib_k=!translate ; to $\
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$ in $(slib_atomes$slib_k)
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      !set slib_atomes$slib_k=!translate $	$ to $\
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$ in $(slib_atomes$slib_k)
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    !next
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    !set slib_faces=$(slib_data[2..-1;])
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    !set slib_faces=!replace internal , by $ $ in $slib_faces
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    !set slib_faces=!translate $	$ to $\
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$ in $slib_faces
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  !else
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    slib_data=!replace internal , by $ $ in $slib_data
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    slib_atomes=!translate $	$ to $\
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$ in $slib_data
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  !endif
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!endif
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!endif
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slib_atomes=!translate $	$ to $\
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$ in $slib_atomes
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!default slib_cnt=0
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slib_cnt= $[$slib_cnt+1]
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slib_fichier=fichier.$slib_cnt
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!readproc oef/togetfile.proc $slib_fichier new\
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$slib_atomes
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!default slib_show=,AA,
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!default slib_show=,AA,
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!!careful confusion with slib_width in off2jmol
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!!careful confusion with slib_width in off2jmol
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!set slib_width_v=$(slib_width)
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!set slib_width_v=$(slib_width)
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!set slib_height_v=$(slib_height)
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!set slib_height_v=$(slib_height)
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!!! FIXME: séparer en deux les deux générations de fichiers.
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!if $slib_animstep=1
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!readproc slib/geo3D/off2jmol $slib_atomes,[$slib_show],[ ,$slib_bondcolor,],[0.01,0.01],url distance
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  !readproc slib/geo3D/off2jmol $slib_atomes,[$slib_show],[ ,$slib_bondcolor,],[0.01,0.01],url distance
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  !readproc slib/chemistry/jmolshow $(slib_out[2]),$slib_height_v,$slib_width_v,$slib_bgcolor,script "$(slib_out[1])"; zoom 130,$(slib_id)
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!else
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  !set slib_spt=yes
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  !for slib_k=1 to $slib_animstep
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    !set slib_dat=$(slib_atomes$slib_k)\
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$slib_faces
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    !readproc slib/geo3D/off2jmol [$slib_dat],[$slib_show],[ ,$slib_bondcolor,],[0.01,0.01],url distance id=$(slib_id)_$slib_k spt=$slib_spt
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    !if $slib_spt=yes
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!set slib_outoff=$slib_out
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      !set slib_filespt=$(slib_out[1])
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      !set slib_spt=no
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    !endif
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    !set slib_scriptanim=!append item ['load $(slib_out[2]);load $(slib_filespt)', "$[$slib_k-1]"]\
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  to $slib_scriptanim
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  !next
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  !set slib_scriptanim=<script>Jmol.jmolRadioGroup(XXXXX,[$slib_scriptanim])</script>
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!readproc slib/chemistry/jmolshow $(slib_outoff[2]),$slib_height_v,$slib_width_v,$slib_bgcolor,script "$(slib_outoff[1])";zoom 130,$slib_id
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  !readproc slib/chemistry/jmolshow $(slib_out[2]),$slib_height_v,$slib_width_v,$slib_bgcolor,script "$(slib_out[1])"; zoom 130,$(slib_id)
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!endif
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$slib_out
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$slib_out