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Rev 17526 Rev 18185
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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,-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]\
12
[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]\
12
[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]\
13
[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]\
13
[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]\
14
[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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[[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\
15
[[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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[[3,1;1,0,0;0,1,0;0,0,1;3,0,1,2],[3,1;1,0,0;0,1,0;0,0,2;3,0,1,2],[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=ts animstep=3
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[[3,1;1,0,0;0,1,0;0,0,1;3,0,1,2],[3,1;1,0,0;0,1,0;0,0,2;3,0,1,2],[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=ts animstep=3\
-
 
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[62 120;-0.526,-0.000,-0.851;-0.526,-0.000,0.851;-0.309,0.500,0.809;-0.309,0.500,-0.809;-0.357,0.934,-0.000;-0.357,-0.934,0.000;-0.309,-0.500,-0.809;-0.309,-0.500,0.809;0.000,-0.357,-0.934;0.000,-0.357,0.934;0.000,0.000,-1.000;0.000,0.000,1.000;0.000,0.357,0.934;0.000,0.357,-0.934;0.000,1.000,0.000;0.000,0.851,0.526;0.000,0.851,-0.526;0.000,-0.851,-0.526;0.000,-0.851,0.526;0.000,-1.000,0.000;0.526,0.000,-0.851;0.526,0.000,0.851;0.309,0.500,0.809;0.309,0.500,-0.809;0.357,0.934,0.000;0.357,-0.934,0.000;0.309,-0.500,-0.809;0.309,-0.500,0.809;1.000,0.000,0.000;0.851,-0.526,0.000;0.851,0.526,0.000;0.577,0.577,-0.577;0.577,0.577,0.577;0.500,0.809,0.309;0.500,0.809,-0.309;0.500,-0.809,-0.309;0.500,-0.809,0.309;0.577,-0.577,-0.577;0.577,-0.577,0.577;0.809,-0.309,-0.500;0.809,-0.309,0.500;0.934,0.000,0.357;0.934,0.000,-0.357;0.809,0.309,-0.500;0.809,0.309,0.500;-0.809,-0.309,-0.500;-0.809,-0.309,0.500;-0.934,-0.000,-0.357;-0.934,-0.000,0.357;-0.809,0.309,-0.500;-0.809,0.309,0.500;-0.851,-0.526,0.000;-0.851,0.526,-0.000;-0.577,0.577,-0.577;-0.577,0.577,0.577;-0.500,0.809,0.309;-0.500,0.809,-0.309;-0.500,-0.809,0.309;-0.500,-0.809,-0.309;-0.577,-0.577,-0.577;-0.577,-0.577,0.577;-1.000,-0.000,-0.000;3,0,8,6,1;3,1,9,7,0;3,0,13,3,0;3,1,12,2,1;3,0,8,10,0;3,1,9,11,1;3,0,13,10,1;3,1,12,11,0;3,0,47,45,0;3,1,48,46,1;3,0,47,49,1;3,1,48,50,0;3,0,53,3,1;3,1,54,2,0;3,0,59,6,0;3,1,60,7,1;3,0,53,49,0;3,1,54,50,1;3,0,59,45,1;3,1,60,46,0;3,15,4,14,0;3,16,4,14,1;3,17,5,19,0;3,18,5,19,1;3,15,4,55,1;3,16,4,56,0;3,17,5,58,1;3,18,5,57,0;3,15,12,2,0;3,16,13,3,1;3,17,8,6,0;3,18,9,7,1;3,15,12,22,1;3,16,13,23,0;3,17,8,26,1;3,18,9,27,0;3,15,24,14,1;3,16,24,14,0;3,17,25,19,1;3,18,25,19,0;3,15,24,33,0;3,16,24,34,1;3,17,25,35,0;3,18,25,36,1;3,15,32,22,0;3,16,31,23,1;3,17,37,26,0;3,18,38,27,1;3,15,32,33,1;3,16,31,34,0;3,17,37,35,1;3,18,38,36,0;3,15,54,2,1;3,16,53,3,0;3,17,59,6,1;3,18,60,7,0;3,15,54,55,0;3,16,53,56,1;3,17,59,58,0;3,18,60,57,1;3,20,8,10,1;3,21,9,11,0;3,20,13,10,0;3,21,12,11,1;3,20,8,26,0;3,21,9,27,1;3,20,13,23,1;3,21,12,22,0;3,20,31,23,0;3,21,32,22,1;3,20,37,26,1;3,21,38,27,0;3,20,31,43,1;3,21,32,44,0;3,20,37,39,0;3,21,38,40,1;3,20,42,39,1;3,21,41,40,0;3,20,42,43,0;3,21,41,44,1;3,29,25,35,1;3,29,25,36,0;3,30,24,33,1;3,30,24,34,0;3,29,37,35,0;3,29,38,36,1;3,30,31,34,1;3,30,32,33,0;3,29,37,39,1;3,29,38,40,0;3,30,31,43,0;3,30,32,44,1;3,29,41,28,0;3,29,42,28,1;3,30,41,28,1;3,30,42,28,0;3,29,41,40,1;3,29,42,39,0;3,30,41,44,0;3,30,42,43,1;3,51,5,57,1;3,51,5,58,0;3,52,4,55,0;3,52,4,56,1;3,51,47,45,1;3,51,48,46,0;3,52,47,49,0;3,52,48,50,1;3,51,47,61,0;3,51,48,61,1;3,52,47,61,1;3,52,48,61,0;3,51,59,45,0;3,51,60,46,1;3,52,53,49,1;3,52,54,50,0;3,51,59,58,1;3,51,60,57,0;3,52,53,56,0;3,52,54,55,1],bondcolor=[blue,red] facecolor=[green,red] id=15 show=[,AA,FF]
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!exit
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!exit
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20
 
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:proc
21
:proc
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!reset slib_option slib_scriptanim slib_format slib_animstep facecolor bondcolor atomcolor
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!reset slib_option slib_scriptanim slib_format slib_animstep facecolor bondcolor atomcolor
Line 82... Line 83...
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!!careful confusion with slib_width in off2jmol
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!!careful confusion with slib_width in off2jmol
83
!set slib_width_v=$(slib_width)
84
!set slib_width_v=$(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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!!! FIXME: séparer en deux les deux générations de fichiers.
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!if $slib_animstep=1
87
!if $slib_animstep=1
87
  !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],[ ,[$slib_bondcolor],[$slib_facecolor]],[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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  !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
90
!else
90
  !set slib_spt=yes
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  !set slib_spt=yes
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  !for slib_k=1 to $slib_animstep
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  !for slib_k=1 to $slib_animstep
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    !set slib_dat=$(slib_atomes$slib_k)\
93
    !set slib_dat=$(slib_atomes$slib_k)\