// // time: Tue Apr 23 13:53:27 1996 // // version: 3.0.0 (format), 3.1.2 (DX) // // // MODULE main // CATEGORY Macros // // comment: Molecular dynamics calculation for enkephalin . 10 simulation steps interpolated // comment: by spline method. The spline interpolation was done using the compute module. A number // comment: of computes were strung together to make three macros for the interpolation. This data // comment: is simple points in space (MD data) . The colors were defined in the data file along with // comment: all the time step coordinates as X,Y,Z's . The Sequencer is used to move between the time // comment: steps. The interpolation is done between the steps to give a smoother animation. // comment: A Selector was added to allow the user to toggle between the set interpolation or to define // comment: an infinite value by choosing either the sequencer or the manual mode from the control // comment: panel. // comment: See the data file Enkp.dx for the way the data are imported for a time series. // workspace: width = 823, height = 843 // layout: snap = 0, width = 50, height = 50, align = CC // macro main( ) -> ( ) { // // node Import[5]: x = 174, y = 19, inputs = 6, label = Import // input[1]: defaulting = 0, visible = 0, type = 32, value = "enkp.dxin" // input[2]: visible = 0 // input[3]: defaulting = 0, visible = 0, type = 32, value = "dx" // main_Import_5_out_1 = Import( main_Import_5_in_1, main_Import_5_in_2, main_Import_5_in_3, main_Import_5_in_4, main_Import_5_in_5, main_Import_5_in_6 ) [instance: 5, cache: 1]; // // node Mark[1]: x = 286, y = 41, inputs = 2, label = Mark // input[2]: defaulting = 0, visible = 0, type = 32, value = "positions" // main_Mark_1_out_1 = Mark( main_Import_5_out_1, main_Mark_1_in_2 ) [instance: 1, cache: 1]; // // node Selector[1]: x = 36, y = 391, inputs = 7, label = Selector // input[1]: defaulting = 0, visible = 0, type = 32, value = "Selector_1" // input[2]: defaulting = 0, visible = 0, type = 32, value = "Sequencer" // input[3]: defaulting = 0, visible = 0, type = 29, value = 2 // input[4]: defaulting = 1, visible = 0, type = 16777248, value = { "Manual" "Sequencer" } // input[5]: defaulting = 1, visible = 0, type = 16777245, value = { 1 2 } // output[1]: visible = 1, type = 29, value = 2 // output[2]: visible = 0, type = 32, value = "Sequencer" // // // node Scalar[1]: x = 107, y = 512, inputs = 11, label = Scalar // input[1]: defaulting = 0, visible = 0, type = 32, value = "Scalar_1" // input[2]: visible = 0 // input[3]: defaulting = 0, visible = 0, type = 5, value = 4.770000 // input[4]: defaulting = 0, visible = 0, type = 3, value = 1 // input[5]: defaulting = 1, visible = 0, type = 5, value = 2.0 // input[6]: defaulting = 1, visible = 0, type = 5, value = 11.0 // input[7]: defaulting = 1, visible = 0, type = 5, value = 1.00000 // input[9]: defaulting = 1, visible = 0, type = 1, value = 3 // output[1]: visible = 1, type = 5, value = 4.770000 // // // node Sequencer[1]: x = 142, y = 392, inputs = 7, label = Sequencer // input[1]: defaulting = 0, visible = 0, type = 32, value = "Sequencer_1" // input[4]: defaulting = 1, visible = 0, type = 1, value = 0 // input[5]: defaulting = 1, visible = 0, type = 1, value = 400 // input[6]: defaulting = 1, visible = 0, type = 1, value = 5 // input[7]: defaulting = 0, visible = 0, type = 16777217, value = { 0 400 5 40 80 0 } // vcr[1]: min = 0, max = 400, beg = 40, end = 80, cur = 40, inc = 5, loop = on, step = off, pal = on // window: position = (0.7094,0.1113), size = 0.2188x0.0781 // main_Sequencer_1_out_1 = @frame; // // node Compute[1]: x = 169, y = 510, inputs = 2, label = Compute // input[1]: defaulting = 0, visible = 0, type = 32, value = "float($0) / 20" // expression: value = float(a) / 20 // name[2]: value = a // main_Compute_1_out_1 = Compute( main_Compute_1_in_1, main_Sequencer_1_out_1 ) [instance: 1, cache: 1]; // // node Switch[1]: x = 132, y = 627, inputs = 3, label = Switch // main_Switch_1_out_1 = Switch( main_Selector_1_out_1, main_Scalar_1_out_1, main_Compute_1_out_1 ) [instance: 1, cache: 1]; // // node CatmullRom[1]: x = 271, y = 124, inputs = 3, label = CatmullRom // input[3]: defaulting = 0, visible = 0, type = 16777245, value = {10} // main_CatmullRom_1_out_1 = CatmullRom( main_Mark_1_out_1, main_Switch_1_out_1, main_CatmullRom_1_in_3 ) [instance: 1, cache: 1]; // // node Unmark[1]: x = 278, y = 219, inputs = 2, label = Unmark // input[2]: defaulting = 0, visible = 0, type = 32, value = "positions" // main_Unmark_1_out_1 = Unmark( main_CatmullRom_1_out_1, main_Unmark_1_in_2 ) [instance: 1, cache: 1]; // // node Partition[2]: x = 286, y = 307, inputs = 3, label = Partition // input[2]: visible = 0 // main_Partition_2_out_1 = Partition( main_Unmark_1_out_1, main_Partition_2_in_2, main_Partition_2_in_3 ) [instance: 2, cache: 1]; // // node Glyph[1]: x = 33, y = 657, inputs = 7, label = Glyph // input[2]: defaulting = 0, visible = 0, type = 5, value = 1.000000 // input[3]: visible = 0 // input[4]: defaulting = 0, visible = 0, type = 5, value = 1.200000 // input[5]: defaulting = 0, visible = 0, type = 5, value = 0.4 // input[6]: defaulting = 0, visible = 0, type = 5, value = 0.000000 // input[7]: defaulting = 0, visible = 0, type = 5, value = NULL // main_Glyph_1_out_1 = Glyph( main_Partition_2_out_1, main_Glyph_1_in_2, main_Glyph_1_in_3, main_Glyph_1_in_4, main_Glyph_1_in_5, main_Glyph_1_in_6, main_Glyph_1_in_7 ) [instance: 1, cache: 1]; // // node Colormap[1]: x = 277, y = 417, inputs = 19, label = Colormap // input[1]: defaulting = 0, visible = 0, type = 16777224, value = { [0.0 0.306667] [0.158371 0.343015] [0.158371 0.343015] [0.167421 0.346667] [0.167421 0.666667] [0.171946 0.666215] [0.244344 0.661432] [0.316742 0.656648] [0.361991 0.653659] [0.371041 0.337113] [0.457014 0.19548] [0.565611 0.189503] [0.565611 0.189503] [0.615385 0.186728] [0.764706 0.2] [0.764706 0.0] [1.0 0.0] } // input[2]: defaulting = 0, visible = 0, type = 16777224, value = { [0.0 1.0] [0.158371 1.0] [0.158371 0.68] [0.167421 0.674974] [0.167421 0.674974] [0.171946 0.673007] [0.244344 0.639781] [0.316742 0.626143] [0.361991 0.530472] [0.371041 0.157277] [0.457014 0.0] [0.565611 0.0] [0.565611 0.986667] [0.615385 0.9882] [0.764706 0.992676] [0.764706 0.992676] [1.0 1.0] } // input[3]: defaulting = 0, visible = 0, type = 16777224, value = { [0.0 1.0] [0.158371 1.0] [0.158371 1.0] [0.167421 1.0] [0.167421 1.0] [0.171946 1.0] [0.244344 1.0] [0.316742 1.0] [0.361991 1.0] [0.371041 1.0] [0.457014 1.0] [0.565611 1.0] [0.565611 1.0] [0.615385 1.0] [0.764706 1.0] [0.764706 1.0] [1.0 1.0] } // input[4]: defaulting = 0, visible = 0, type = 16777224, value = { [0.0 1.0] [1.0 1.0] } // input[5]: defaulting = 0, visible = 0, type = 32, value = "Colormap_1" // input[6]: visible = 0 // input[7]: defaulting = 1, visible = 0, type = 5, value = 0.0 // input[8]: defaulting = 1, visible = 0, type = 5, value = 100.0 // input[9]: defaulting = 1, visible = 0, type = 1, value = 20 // input[12]: defaulting = 0, visible = 0, type = 16777221, value = { 0.0 100.0 } // output[2]: visible = 0 // window: position = (25.5992,31.9990), size = 25.5992x31.9990 // main_Colormap_1_out_1[cache: 2], main_Colormap_1_out_2[cache: 2] = Colormap( main_Colormap_1_in_1, main_Colormap_1_in_2, main_Colormap_1_in_3, main_Colormap_1_in_4, main_Colormap_1_in_5, main_Colormap_1_in_6, main_Colormap_1_in_7, main_Colormap_1_in_8, main_Colormap_1_in_9, main_Colormap_1_in_10, main_Colormap_1_in_11, main_Colormap_1_in_12, main_Colormap_1_in_13, main_Colormap_1_in_14, main_Colormap_1_in_15, main_Colormap_1_in_16, main_Colormap_1_in_17, main_Colormap_1_in_18, main_Colormap_1_in_19 ) [instance: 1, cache: 1]; // // node ColorBar[1]: x = 291, y = 528, inputs = 12, label = ColorBar // input[2]: defaulting = 0, visible = 0, type = 8, value = [0.95, 0.73] // input[3]: defaulting = 0, visible = 0, type = 8, value = [175 15] // input[4]: visible = 0 // input[5]: defaulting = 0, visible = 0, type = 1, value = 0 // input[8]: visible = 0 // input[12]: defaulting = 0, visible = 0, type = 32, value = "area" // main_ColorBar_1_out_1 = ColorBar( main_Colormap_1_out_1, main_ColorBar_1_in_2, main_ColorBar_1_in_3, main_ColorBar_1_in_4, main_ColorBar_1_in_5, main_ColorBar_1_in_6, main_ColorBar_1_in_7, main_ColorBar_1_in_8, main_ColorBar_1_in_9, main_ColorBar_1_in_10, main_ColorBar_1_in_11, main_ColorBar_1_in_12 ) [instance: 1, cache: 1]; // // node Caption[1]: x = 391, y = 309, inputs = 9, label = Caption // input[1]: defaulting = 0, visible = 0, type = 32, value = "C" // input[2]: defaulting = 0, visible = 0, type = 8, value = [0.89, 0.8] // input[6]: defaulting = 0, visible = 0, type = 1, value = 20 // input[7]: defaulting = 0, visible = 0, type = 32, value = "area" // main_Caption_1_out_1 = Caption( main_Caption_1_in_1, main_Caption_1_in_2, main_Caption_1_in_3, main_Caption_1_in_4, main_Caption_1_in_5, main_Caption_1_in_6, main_Caption_1_in_7, main_Caption_1_in_8, main_Caption_1_in_9 ) [instance: 1, cache: 1]; // // node Caption[2]: x = 626, y = 317, inputs = 9, label = Caption // input[1]: defaulting = 0, visible = 0, type = 32, value = "S" // input[2]: defaulting = 0, visible = 0, type = 8, value = [0.89, 0.72] // input[6]: defaulting = 0, visible = 0, type = 1, value = 20 // input[7]: defaulting = 0, visible = 0, type = 32, value = "area" // main_Caption_2_out_1 = Caption( main_Caption_2_in_1, main_Caption_2_in_2, main_Caption_2_in_3, main_Caption_2_in_4, main_Caption_2_in_5, main_Caption_2_in_6, main_Caption_2_in_7, main_Caption_2_in_8, main_Caption_2_in_9 ) [instance: 2, cache: 1]; // // node Caption[3]: x = 695, y = 321, inputs = 9, label = Caption // input[1]: defaulting = 0, visible = 0, type = 32, value = "H" // input[2]: defaulting = 0, visible = 0, type = 8, value = [0.89, 0.64] // input[6]: defaulting = 0, visible = 0, type = 1, value = 20 // input[7]: defaulting = 0, visible = 0, type = 32, value = "area" // main_Caption_3_out_1 = Caption( main_Caption_3_in_1, main_Caption_3_in_2, main_Caption_3_in_3, main_Caption_3_in_4, main_Caption_3_in_5, main_Caption_3_in_6, main_Caption_3_in_7, main_Caption_3_in_8, main_Caption_3_in_9 ) [instance: 3, cache: 1]; // // node Caption[4]: x = 761, y = 323, inputs = 9, label = Caption // input[1]: defaulting = 0, visible = 0, type = 32, value = "O" // input[2]: defaulting = 0, visible = 0, type = 8, value = [0.89, 0.56] // input[6]: defaulting = 0, visible = 0, type = 1, value = 20 // input[7]: defaulting = 0, visible = 0, type = 32, value = "area" // main_Caption_4_out_1 = Caption( main_Caption_4_in_1, main_Caption_4_in_2, main_Caption_4_in_3, main_Caption_4_in_4, main_Caption_4_in_5, main_Caption_4_in_6, main_Caption_4_in_7, main_Caption_4_in_8, main_Caption_4_in_9 ) [instance: 4, cache: 1]; // // node Caption[5]: x = 465, y = 313, inputs = 9, label = Caption // input[1]: defaulting = 0, visible = 0, type = 32, value = "N" // input[2]: defaulting = 0, visible = 0, type = 8, value = [0.89, 0.485] // input[6]: defaulting = 0, visible = 0, type = 1, value = 20 // input[7]: defaulting = 0, visible = 0, type = 32, value = "area" // main_Caption_5_out_1 = Caption( main_Caption_5_in_1, main_Caption_5_in_2, main_Caption_5_in_3, main_Caption_5_in_4, main_Caption_5_in_5, main_Caption_5_in_6, main_Caption_5_in_7, main_Caption_5_in_8, main_Caption_5_in_9 ) [instance: 5, cache: 1]; // // node Caption[6]: x = 544, y = 321, inputs = 9, label = Caption // input[1]: defaulting = 0, visible = 1, type = 32, value = "Methionine enkephalin Dynamics" // input[6]: defaulting = 0, visible = 0, type = 1, value = 25 // input[7]: defaulting = 0, visible = 0, type = 32, value = "area" // main_Caption_6_out_1 = Caption( main_Caption_6_in_1, main_Caption_6_in_2, main_Caption_6_in_3, main_Caption_6_in_4, main_Caption_6_in_5, main_Caption_6_in_6, main_Caption_6_in_7, main_Caption_6_in_8, main_Caption_6_in_9 ) [instance: 6, cache: 1]; // // node Light[1]: x = 699, y = 560, inputs = 3, label = Light // input[1]: defaulting = 0, visible = 0, type = 8, value = [0, 0, 1] // input[2]: defaulting = 0, visible = 0, type = 8, value = [1, 1, 1] // input[3]: defaulting = 0, visible = 0, type = 3, value = 1 // main_Light_1_out_1 = Light( main_Light_1_in_1, main_Light_1_in_2, main_Light_1_in_3 ) [instance: 1, cache: 1]; // // node Collect[2]: x = 578, y = 568, inputs = 2, label = Collect // main_Collect_2_out_1 = Collect( main_Caption_6_out_1, main_Light_1_out_1 ) [instance: 2, cache: 1]; // // node Collect[1]: x = 320, y = 646, inputs = 8, label = Collect // main_Collect_1_out_1 = Collect( main_Glyph_1_out_1, main_ColorBar_1_out_1, main_Caption_1_out_1, main_Caption_2_out_1, main_Caption_3_out_1, main_Caption_4_out_1, main_Caption_5_out_1, main_Collect_2_out_1 ) [instance: 1, cache: 1]; // // node Options[1]: x = 322, y = 728, inputs = 9, label = Options // input[2]: defaulting = 0, visible = 0, type = 32, value = "diffuse" // input[3]: defaulting = 0, visible = 0, type = 29, value = .8 // input[4]: defaulting = 0, visible = 0, type = 32, value = "specular" // input[5]: defaulting = 0, visible = 0, type = 29, value = .5 // input[6]: defaulting = 0, visible = 0, type = 32, value = "shininess" // input[7]: defaulting = 0, visible = 0, type = 29, value = 20 // input[8]: defaulting = 0, visible = 0, type = 32, value = "ambient" // input[9]: defaulting = 0, visible = 0, type = 29, value = 2 // main_Options_1_out_1 = Options( main_Collect_1_out_1, main_Options_1_in_2, main_Options_1_in_3, main_Options_1_in_4, main_Options_1_in_5, main_Options_1_in_6, main_Options_1_in_7, main_Options_1_in_8, main_Options_1_in_9 ) [instance: 1, cache: 1]; // // node Image[6]: x = 431, y = 780, inputs = 42, label = Image // input[1]: defaulting = 0, visible = 0, type = 32, value = "Image_6" // input[4]: defaulting = 0, visible = 0, type = 1, value = 1 // input[5]: defaulting = 0, visible = 0, type = 8, value = [9.1752 3.2589 -0.63505] // input[6]: defaulting = 0, visible = 0, type = 8, value = [9.1752 3.2589 72.1727] // input[7]: defaulting = 0, visible = 0, type = 5, value = 29.9789 // input[8]: defaulting = 0, visible = 0, type = 1, value = 640 // input[9]: defaulting = 0, visible = 0, type = 5, value = 0.75 // input[10]: defaulting = 0, visible = 0, type = 8, value = [0 1 0] // input[11]: defaulting = 1, visible = 0, type = 5, value = 23.2667 // input[12]: defaulting = 0, visible = 0, type = 1, value = 0 // input[14]: defaulting = 0, visible = 0, type = 1, value = 1 // input[15]: defaulting = 1, visible = 0, type = 32, value = "none" // input[16]: defaulting = 1, visible = 0, type = 32, value = "none" // input[17]: defaulting = 1, visible = 0, type = 1, value = 1 // input[18]: defaulting = 1, visible = 0, type = 1, value = 1 // input[19]: defaulting = 0, visible = 0, type = 1, value = 0 // input[25]: defaulting = 0, visible = 0, type = 32, value = "/chem1/images/metenk" // input[26]: defaulting = 0, visible = 0, type = 32, value = "rgb orient=portrait page=8.5x11.0 dpi=300" // input[29]: defaulting = 1, visible = 0, type = 3, value = 0 // depth: value = 8 // window: position = (0.1148,0.1777), size = 0.5109x0.5117 // interaction mode = NONE // internal caching: 1 // main_Image_6_out_1, main_Image_6_out_2 = Image( main_Image_6_in_1, main_Options_1_out_1, main_Image_6_in_3, main_Image_6_in_4, main_Image_6_in_5, main_Image_6_in_6, main_Image_6_in_7, main_Image_6_in_8, main_Image_6_in_9, main_Image_6_in_10, main_Image_6_in_11, main_Image_6_in_12, main_Image_6_in_13, main_Image_6_in_14, main_Image_6_in_15, main_Image_6_in_16, main_Image_6_in_17, main_Image_6_in_18, main_Image_6_in_19, main_Image_6_in_20, main_Image_6_in_21, main_Image_6_in_22, main_Image_6_in_23, main_Image_6_in_24, main_Image_6_in_25, main_Image_6_in_26, main_Image_6_in_27, main_Image_6_in_28, main_Image_6_in_29, main_Image_6_in_30, main_Image_6_in_31, main_Image_6_in_32, main_Image_6_in_33, main_Image_6_in_34, main_Image_6_in_35, main_Image_6_in_36, main_Image_6_in_37, main_Image_6_in_38, main_Image_6_in_39, main_Image_6_in_40, main_Image_6_in_41, main_Image_6_in_42 ) [instance: 6, cache: 1]; // network: end of macro body CacheScene("Image_6", main_Image_6_out_1, main_Image_6_out_2); } main_Import_5_in_1 = "enkp.dxin"; main_Import_5_in_2 = NULL; main_Import_5_in_3 = "dx"; main_Import_5_in_4 = NULL; main_Import_5_in_5 = NULL; main_Import_5_in_6 = NULL; main_Import_5_out_1 = NULL; main_Mark_1_in_2 = "positions"; main_Mark_1_out_1 = NULL; main_Selector_1_in_1 = "Selector_1"; main_Selector_1_in_2 = "Sequencer" ; main_Selector_1_in_3 = 2 ; main_Selector_1_in_4 = NULL; main_Selector_1_in_5 = NULL; main_Selector_1_in_6 = NULL; main_Selector_1_in_7 = NULL; main_Selector_1_out_1 = 2 ; main_Scalar_1_in_1 = "Scalar_1"; main_Scalar_1_in_2 = NULL; main_Scalar_1_in_3 = 4.770000; main_Scalar_1_in_4 = 1; main_Scalar_1_in_5 = NULL; main_Scalar_1_in_6 = NULL; main_Scalar_1_in_7 = NULL; main_Scalar_1_in_8 = NULL; main_Scalar_1_in_9 = NULL; main_Scalar_1_in_10 = NULL; main_Scalar_1_in_11 = NULL; main_Scalar_1_out_1 = 4.770000; main_Sequencer_1_in_1 = "Sequencer_1"; main_Sequencer_1_in_2 = NULL; main_Sequencer_1_in_3 = NULL; main_Sequencer_1_in_4 = NULL; main_Sequencer_1_in_5 = NULL; main_Sequencer_1_in_6 = NULL; main_Sequencer_1_in_7 = { 0 400 5 40 80 0 }; main_Sequencer_1_out_1 = NULL; @startframe = 40; @nextframe = @startframe; @endframe = 80; @deltaframe = 5; main_Compute_1_in_1 = "float($0) / 20"; main_Compute_1_out_1 = NULL; main_Switch_1_out_1 = NULL; main_CatmullRom_1_in_3 = {10}; main_CatmullRom_1_out_1 = NULL; main_Unmark_1_in_2 = "positions"; main_Unmark_1_out_1 = NULL; main_Partition_2_in_2 = NULL; main_Partition_2_in_3 = NULL; main_Partition_2_out_1 = NULL; main_Glyph_1_in_2 = 1.000000; main_Glyph_1_in_3 = NULL; main_Glyph_1_in_4 = 1.200000; main_Glyph_1_in_5 = 0.4; main_Glyph_1_in_6 = 0.000000; main_Glyph_1_in_7 = NULL; main_Glyph_1_out_1 = NULL; main_Colormap_1_in_1 = { [0.0 0.306667] [0.158371 0.343015] [0.158371 0.343015] [0.167421 0.346667] [0.167421 0.666667] [0.171946 0.666215] [0.244344 0.661432] [0.316742 0.656648] [0.361991 0.653659] [0.371041 0.337113] [0.457014 0.19548] [0.565611 0.189503] [0.565611 0.189503] [0.615385 0.186728] [0.764706 0.2] [0.764706 0.0] [1.0 0.0] }; main_Colormap_1_in_2 = { [0.0 1.0] [0.158371 1.0] [0.158371 0.68] [0.167421 0.674974] [0.167421 0.674974] [0.171946 0.673007] [0.244344 0.639781] [0.316742 0.626143] [0.361991 0.530472] [0.371041 0.157277] [0.457014 0.0] [0.565611 0.0] [0.565611 0.986667] [0.615385 0.9882] [0.764706 0.992676] [0.764706 0.992676] [1.0 1.0] }; main_Colormap_1_in_3 = { [0.0 1.0] [0.158371 1.0] [0.158371 1.0] [0.167421 1.0] [0.167421 1.0] [0.171946 1.0] [0.244344 1.0] [0.316742 1.0] [0.361991 1.0] [0.371041 1.0] [0.457014 1.0] [0.565611 1.0] [0.565611 1.0] [0.615385 1.0] [0.764706 1.0] [0.764706 1.0] [1.0 1.0] }; main_Colormap_1_in_4 = { [0.0 1.0] [1.0 1.0] }; main_Colormap_1_in_5 = "Colormap_1"; main_Colormap_1_in_6 = NULL; main_Colormap_1_in_7 = NULL; main_Colormap_1_in_8 = NULL; main_Colormap_1_in_9 = NULL; main_Colormap_1_in_10 = NULL; main_Colormap_1_in_11 = NULL; main_Colormap_1_in_12 = { 0.0 100.0 }; main_Colormap_1_in_13 = NULL; main_Colormap_1_in_14 = NULL; main_Colormap_1_in_15 = NULL; main_Colormap_1_in_16 = NULL; main_Colormap_1_in_17 = NULL; main_Colormap_1_in_18 = NULL; main_Colormap_1_in_19 = NULL; main_Colormap_1_out_1 = NULL; main_ColorBar_1_in_2 = [0.95, 0.73]; main_ColorBar_1_in_3 = [175 15]; main_ColorBar_1_in_4 = NULL; main_ColorBar_1_in_5 = 0; main_ColorBar_1_in_6 = NULL; main_ColorBar_1_in_7 = NULL; main_ColorBar_1_in_8 = NULL; main_ColorBar_1_in_9 = NULL; main_ColorBar_1_in_10 = NULL; main_ColorBar_1_in_11 = NULL; main_ColorBar_1_in_12 = "area"; main_ColorBar_1_out_1 = NULL; main_Caption_1_in_1 = "C"; main_Caption_1_in_2 = [0.89, 0.8]; main_Caption_1_in_3 = NULL; main_Caption_1_in_4 = NULL; main_Caption_1_in_5 = NULL; main_Caption_1_in_6 = 20; main_Caption_1_in_7 = "area"; main_Caption_1_in_8 = NULL; main_Caption_1_in_9 = NULL; main_Caption_1_out_1 = NULL; main_Caption_2_in_1 = "S"; main_Caption_2_in_2 = [0.89, 0.72]; main_Caption_2_in_3 = NULL; main_Caption_2_in_4 = NULL; main_Caption_2_in_5 = NULL; main_Caption_2_in_6 = 20; main_Caption_2_in_7 = "area"; main_Caption_2_in_8 = NULL; main_Caption_2_in_9 = NULL; main_Caption_2_out_1 = NULL; main_Caption_3_in_1 = "H"; main_Caption_3_in_2 = [0.89, 0.64]; main_Caption_3_in_3 = NULL; main_Caption_3_in_4 = NULL; main_Caption_3_in_5 = NULL; main_Caption_3_in_6 = 20; main_Caption_3_in_7 = "area"; main_Caption_3_in_8 = NULL; main_Caption_3_in_9 = NULL; main_Caption_3_out_1 = NULL; main_Caption_4_in_1 = "O"; main_Caption_4_in_2 = [0.89, 0.56]; main_Caption_4_in_3 = NULL; main_Caption_4_in_4 = NULL; main_Caption_4_in_5 = NULL; main_Caption_4_in_6 = 20; main_Caption_4_in_7 = "area"; main_Caption_4_in_8 = NULL; main_Caption_4_in_9 = NULL; main_Caption_4_out_1 = NULL; main_Caption_5_in_1 = "N"; main_Caption_5_in_2 = [0.89, 0.485]; main_Caption_5_in_3 = NULL; main_Caption_5_in_4 = NULL; main_Caption_5_in_5 = NULL; main_Caption_5_in_6 = 20; main_Caption_5_in_7 = "area"; main_Caption_5_in_8 = NULL; main_Caption_5_in_9 = NULL; main_Caption_5_out_1 = NULL; main_Caption_6_in_1 = "Methionine enkephalin Dynamics"; main_Caption_6_in_2 = NULL; main_Caption_6_in_3 = NULL; main_Caption_6_in_4 = NULL; main_Caption_6_in_5 = NULL; main_Caption_6_in_6 = 25; main_Caption_6_in_7 = "area"; main_Caption_6_in_8 = NULL; main_Caption_6_in_9 = NULL; main_Caption_6_out_1 = NULL; main_Light_1_in_1 = [0, 0, 1]; main_Light_1_in_2 = [1, 1, 1]; main_Light_1_in_3 = 1; main_Light_1_out_1 = NULL; main_Collect_2_out_1 = NULL; main_Collect_1_out_1 = NULL; main_Options_1_in_2 = "diffuse"; main_Options_1_in_3 = .8; main_Options_1_in_4 = "specular"; main_Options_1_in_5 = .5; main_Options_1_in_6 = "shininess"; main_Options_1_in_7 = 20; main_Options_1_in_8 = "ambient"; main_Options_1_in_9 = 2; main_Options_1_out_1 = NULL; macro Image( id, object, where, useVector, to, from, width, resolution, aspect, up, viewAngle, perspective, options, buttonState = 1, buttonUpApprox = "none", buttonDownApprox = "none", buttonUpDensity = 1, buttonDownDensity = 1, renderMode = 0, defaultCamera, reset, backgroundColor, throttle, RECenable = 0, RECfile, RECformat, RECresolution, RECaspect, AAenable = 0, AAlabels, AAticks, AAcorners, AAframe, AAadjust, AAcursor, AAgrid, AAcolors, AAannotation, AAlabelscale, AAfont, interactionMode, title) -> ( object, camera) { ImageMessage( id, backgroundColor, throttle, RECenable, RECfile, RECformat, RECresolution, RECaspect, AAenable, AAlabels, AAticks, AAcorners, AAframe, AAadjust, AAcursor, AAgrid, AAcolors, AAannotation, AAlabelscale, AAfont, interactionMode, title, renderMode, buttonUpApprox, buttonDownApprox, buttonUpDensity, buttonDownDensity) [instance: 1, cache: 1]; autoCamera = AutoCamera( object, "front", object, resolution, aspect, [0,1,0], perspective, viewAngle, backgroundColor) [instance: 1, cache: 1]; realCamera = Camera( to, from, width, resolution, aspect, up, perspective, viewAngle, backgroundColor) [instance: 1, cache: 1]; coloredDefaultCamera = UpdateCamera(defaultCamera, background=backgroundColor) [instance: 1, cache: 1]; nullDefaultCamera = Inquire(defaultCamera, "is null + 1") [instance: 1, cache: 1]; resetCamera = Switch( nullDefaultCamera, coloredDefaultCamera, autoCamera) [instance: 1, cache: 1]; resetNull = Inquire( reset, "is null + 1") [instance: 2, cache: 1]; reset = Switch( resetNull, reset, 0) [instance: 2, cache: 1]; whichCamera = Compute( "($0 != 0 || $1 == 0) ? 1 : 2", reset, useVector) [instance: 1, cache: 1]; camera = Switch( whichCamera, resetCamera, realCamera) [instance: 3, cache: 1]; AAobject = AutoAxes( object, camera, AAlabels, AAticks, AAcorners, AAframe, AAadjust, AAcursor, AAgrid, AAcolors, AAannotation, AAlabelscale, AAfont) [instance: 1, cache: 1]; switchAAenable = Compute("$0+1", AAenable) [instance: 2, cache: 1]; object = Switch( switchAAenable, object, AAobject) [instance:4, cache: 1]; SWapproximation_options = Switch( buttonState, buttonUpApprox, buttonDownApprox) [instance: 5, cache: 1]; SWdensity_options = Switch( buttonState, buttonUpDensity, buttonDownDensity) [instance: 6, cache: 1]; HWapproximation_options = Format( "%s,%s", buttonDownApprox, buttonUpApprox) [instance: 1, cache: 1]; HWdensity_options = Format( "%d,%d", buttonDownDensity, buttonUpDensity) [instance: 2, cache: 1]; switchRenderMode = Compute( "$0+1", renderMode) [instance: 3, cache: 1]; approximation_options = Switch( switchRenderMode, SWapproximation_options, HWapproximation_options) [instance: 7, cache: 1]; density_options = Switch( switchRenderMode, SWdensity_options, HWdensity_options) [instance: 8, cache: 1]; renderModeString = Switch( switchRenderMode, "software", "hardware")[instance: 9, cache: 1]; object_tag = Inquire( object, "object tag")[instance: 3, cache: 1]; annoted_object = Options( object, "send boxes", 0, "cache", 1, "object tag", object_tag, "ddcamera", whichCamera, "rendering approximation", approximation_options, "render every", density_options, "button state", buttonState, "rendering mode", renderModeString) [instance: 1, cache: 1]; RECresNull = Inquire( RECresolution, "is null + 1") [instance: 4, cache: 1]; ImageResolution = Inquire( camera, "camera resolution") [instance: 5, cache: 1]; RECresolution = Switch( RECresNull, RECresolution, ImageResolution) [instance: 10, cache: 1]; RECaspectNull = Inquire( RECaspect, "is null + 1") [instance: 6, cache: 1]; ImageAspect = Inquire( camera, "camera aspect") [instance: 7, cache: 1]; RECaspect = Switch( RECaspectNull, RECaspect, ImageAspect) [instance: 11, cache: 1]; switchRECenable = Compute( "$0 == 0 ? 1 : (($1 == $2) && ($3 == $4)) ? 2 : 3", RECenable, RECresolution, ImageResolution, RECaspect, ImageAspect) [instance: 4, cache: 1]; NoRECobject, RECNoRerenderObject, RECRerenderObject = Route(switchRECenable, annoted_object); Display( NoRECobject, camera, where, throttle) [instance: 1, cache: 1]; image = Render( RECNoRerenderObject, camera) [instance: 1, cache: 1]; Display( image, NULL, where, throttle) [instance: 2, cache: 1]; WriteImage( image, RECfile, RECformat) [instance: 1, cache: 1]; RECupdateCamera = UpdateCamera( camera, resolution=RECresolution, aspect=RECaspect) [instance: 2, cache: 1]; Display( RECRerenderObject, camera, where, throttle) [instance: 3, cache: 1]; image = Render( RECRerenderObject, RECupdateCamera) [instance: 2, cache: 1]; WriteImage( image, RECfile, RECformat) [instance: 2, cache: 1]; } main_Image_6_in_1 = "Image_6"; main_Image_6_in_3 = "X8,,"; main_Image_6_in_4 = 1; main_Image_6_in_5 = [9.1752 3.2589 -0.63505]; main_Image_6_in_6 = [9.1752 3.2589 72.1727]; main_Image_6_in_7 = 29.9789; main_Image_6_in_8 = 640; main_Image_6_in_9 = 0.75; main_Image_6_in_10 = [0 1 0]; main_Image_6_in_11 = NULL; main_Image_6_in_12 = 0; main_Image_6_in_13 = NULL; main_Image_6_in_14 = 1; main_Image_6_in_15 = NULL; main_Image_6_in_16 = NULL; main_Image_6_in_17 = NULL; main_Image_6_in_18 = NULL; main_Image_6_in_19 = 0; main_Image_6_in_20 = NULL; main_Image_6_in_21 = NULL; main_Image_6_in_22 = NULL; main_Image_6_in_23 = NULL; main_Image_6_in_25 = "/chem1/images/metenk"; main_Image_6_in_26 = "rgb orient=portrait page=8.5x11.0 dpi=300"; main_Image_6_in_27 = NULL; main_Image_6_in_28 = NULL; main_Image_6_in_29 = NULL; main_Image_6_in_30 = NULL; main_Image_6_in_31 = NULL; main_Image_6_in_32 = NULL; main_Image_6_in_33 = NULL; main_Image_6_in_34 = NULL; main_Image_6_in_35 = NULL; main_Image_6_in_36 = NULL; main_Image_6_in_37 = NULL; main_Image_6_in_38 = NULL; main_Image_6_in_39 = NULL; main_Image_6_in_40 = NULL; main_Image_6_in_41 = NULL; main_Image_6_in_42 = NULL; Executive("product version 3 1 2"); $sync sequence main(); play;