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Rev 17083 | Rev 17526 | ||
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11 | [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]\ |
11 | [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]\ |
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]\ |
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]\ |
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\ |
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\ |
- | 16 | [[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 |
|
16 | 17 | ||
17 | !exit |
18 | !exit |
18 | 19 | ||
19 | :proc |
20 | :proc |
20 | !reset slib_option slib_scriptanim slib_format slib_animstep facecolor bondcolor atomcolor |
21 | !reset slib_option slib_scriptanim slib_format slib_animstep facecolor bondcolor atomcolor |
Line 57... | Line 58... | ||
57 | $ in $(slib_atomes$slib_k) |
58 | $ in $(slib_atomes$slib_k) |
58 | !set slib_atomes$slib_k=!translate $ $ to $\ |
59 | !set slib_atomes$slib_k=!translate $ $ to $\ |
59 | $ in $(slib_atomes$slib_k) |
60 | $ in $(slib_atomes$slib_k) |
60 | !next |
61 | !next |
61 | !set slib_faces=$(slib_data[2..-1;]) |
62 | !set slib_faces=$(slib_data[2..-1;]) |
- | 63 | !set slib_tmp=!declosing $slib_faces |
|
- | 64 | !for slib_k=1 to $slib_animstep |
|
- | 65 | !if $slib_tmp=$slib_faces |
|
- | 66 | !set slib_faces$slib_k=$(slib_faces) |
|
- | 67 | !else |
|
- | 68 | !set slib_faces$slib_k=$(slib_tmp[$slib_k;]) |
|
- | 69 | !endif |
|
62 | !set |
70 | !set slib_faces$slib_k=!replace internal , by $ $ in $(slib_faces$slib_k) |
63 | !set |
71 | !set slib_faces$slib_k=!translate $ $ to $\ |
64 | $ in |
72 | $ in $(slib_faces$slib_k) |
- | 73 | !next |
|
65 | !else |
74 | !else |
66 | slib_data=!replace internal , by $ $ in $slib_data |
75 | slib_data=!replace internal , by $ $ in $slib_data |
67 | slib_atomes=!translate $ $ to $\ |
76 | slib_atomes=!translate $ $ to $\ |
68 | $ in $slib_data |
77 | $ in $slib_data |
69 | !endif |
78 | !endif |
Line 79... | Line 88... | ||
79 | !readproc slib/chemistry/jmolshow $(slib_out[2]),$slib_height_v,$slib_width_v,$slib_bgcolor,script "$(slib_out[1])"; zoom 130,$(slib_id) |
88 | !readproc slib/chemistry/jmolshow $(slib_out[2]),$slib_height_v,$slib_width_v,$slib_bgcolor,script "$(slib_out[1])"; zoom 130,$(slib_id) |
80 | !else |
89 | !else |
81 | !set slib_spt=yes |
90 | !set slib_spt=yes |
82 | !for slib_k=1 to $slib_animstep |
91 | !for slib_k=1 to $slib_animstep |
83 | !set slib_dat=$(slib_atomes$slib_k)\ |
92 | !set slib_dat=$(slib_atomes$slib_k)\ |
84 |
|
93 | $(slib_faces$slib_k) |
85 |
|
94 | !readproc slib/geo3D/off2jmol [$slib_dat],[$slib_show],[ ,$slib_bondcolor,],[0.01,0.01],url distance id=$(slib_id)_$slib_k spt=$slib_spt |
86 | !if $slib_spt=yes |
- | |
87 |
|
95 | !set slib_filespt$slib_k=$(slib_out[1]) |
88 | !set slib_spt=no |
- | |
89 | !endif |
- | |
90 | !set slib_scriptanim=!append item ['load $(slib_out[2]);load $( |
96 | !set slib_scriptanim=!append item ['load $(slib_out[2]);load $(slib_filespt$slib_k)', "$[$slib_k-1]"]\ |
91 | to $slib_scriptanim |
97 | to $slib_scriptanim |
92 | !next |
98 | !next |
93 | !set slib_scriptanim=<script>Jmol.jmolRadioGroup(XXXXX,[$slib_scriptanim])</script> |
99 | !set slib_scriptanim=<script>Jmol.jmolRadioGroup(XXXXX,[$slib_scriptanim])</script> |
94 | !readproc slib/chemistry/jmolshow $(slib_out[2]),$slib_height_v,$slib_width_v,$slib_bgcolor,script "$(slib_out[1])"; zoom 130,$(slib_id) |
100 | !readproc slib/chemistry/jmolshow $(slib_out[2]),$slib_height_v,$slib_width_v,$slib_bgcolor,script "$(slib_out[1])"; zoom 130,$(slib_id) |
95 | !endif |
101 | !endif |