// // time: Mon Jan 10 11:41:33 1994 // // version: 2.0.1 // // Begin MDF // MODULE BALLnSTICK // CATEGORY Macros // DESCRIPTION Macro to render molecules given file containing atomic coordinates // INPUT CoordFile; string; (none); // INPUT AtomColors; string; (none); dx file used for color mapping to element type // INPUT AtomRadii; string; (none); dx file used for radius mapping to element type // INPUT Spiffiness; scalar or string or field or group; (none); degree of spiffiness for spherical glyphs // INPUT Scale; scalar; (none); scale factor for spheres // INPUT BondOpacity; object; (none); Opacity of Bonds // INPUT BondColor; object; (none); Bond Color // INPUT BondDiameter; object; (none); Tube diameter to represent bonds // OUTPUT output_1; group; // End MDF // // comment: Macro to render Pluto models from a dx file containing the following components: // comment: (default values in parentheses) // comment: INPUT #1 CoordFile // comment: DATA: atomic number of each atom // comment: POSITIONS: x,y,z of each atom // comment: CONNECTIONS: bonding // comment: INPUT #2 Atom Colors File // comment: INPUT #3 Atom Radii File // comment: INPUT #4 Spiffiness of Spheres (spiffy) // comment: INPUT #5 Scale Factor for Spheres (0.60) // comment: INPUT #6 Bond Opacity (1.0) // comment: INPUT #7 Bond Color (sky blue) // comment: INPUT #8 Bond Diameter (0.2) // workspace: width = 1416, height = 1180 // layout: snap = 0, width = 10, height = 10, align = CC // macro BALLnSTICK( CoordFile ,AtomColors ,AtomRadii ,Spiffiness ,Scale ,BondOpacity ,BondColor ,BondDiameter ) -> ( output_1 ) { // // node Input[7]: x = 3, y = 5, inputs = 0, label = Input // // parameter: position = 1, name = 'CoordFile', value = ' ', descriptive = 0, description = ' ', required = 1 BALLnSTICK_Input_7_out_1 = CoordFile; // // node Input[8]: x = 97, y = 0, inputs = 0, label = Input // // parameter: position = 2, name = 'AtomColors', value = ' ', descriptive = 0, description = 'dx file used for color mapping to element type', required = 1 BALLnSTICK_Input_8_out_1 = AtomColors; // // node Input[9]: x = 310, y = 0, inputs = 0, label = Input // // parameter: position = 3, name = 'AtomRadii', value = ' ', descriptive = 0, description = 'dx file used for radius mapping to element type', required = 1 BALLnSTICK_Input_9_out_1 = AtomRadii; // // node Input[10]: x = 449, y = 324, inputs = 0, label = Input // // parameter: position = 4, name = 'Spiffiness', value = ' ', descriptive = 0, description = 'degree of spiffiness for spherical glyphs', required = 1 BALLnSTICK_Input_10_out_1 = Spiffiness; // // node Input[11]: x = 510, y = 328, inputs = 0, label = Input // // parameter: position = 5, name = 'Scale', value = ' ', descriptive = 0, description = 'scale factor for spheres', required = 1 BALLnSTICK_Input_11_out_1 = Scale; // // node Input[12]: x = 475, y = 7, inputs = 0, label = Input // // parameter: position = 6, name = 'BondOpacity', value = ' ', descriptive = 0, description = 'Opacity of Bonds', required = 1 BALLnSTICK_Input_12_out_1 = BondOpacity; // // node Input[13]: x = 647, y = 11, inputs = 0, label = Input // // parameter: position = 7, name = 'BondColor', value = ' ', descriptive = 0, description = 'Bond Color', required = 1 BALLnSTICK_Input_13_out_1 = BondColor; // // node Input[14]: x = 764, y = 3, inputs = 0, label = Input // // parameter: position = 8, name = 'BondDiameter', value = ' ', descriptive = 0, description = 'Tube diameter to represent bonds', required = 1 BALLnSTICK_Input_14_out_1 = BondDiameter; // // node Import[5]: x = 0, y = 91, inputs = 6, label = Import // BALLnSTICK_Import_5_out_1 = Import( BALLnSTICK_Input_7_out_1, BALLnSTICK_Import_5_in_2, BALLnSTICK_Import_5_in_3, BALLnSTICK_Import_5_in_4, BALLnSTICK_Import_5_in_5, BALLnSTICK_Import_5_in_6 ) [instance: 5, cache: 1]; // // node Import[2]: x = 154, y = 85, inputs = 6, label = Import // BALLnSTICK_Import_2_out_1 = Import( BALLnSTICK_Input_8_out_1, BALLnSTICK_Import_2_in_2, BALLnSTICK_Import_2_in_3, BALLnSTICK_Import_2_in_4, BALLnSTICK_Import_2_in_5, BALLnSTICK_Import_2_in_6 ) [instance: 2, cache: 1]; // // node Import[3]: x = 305, y = 91, inputs = 6, label = Import // BALLnSTICK_Import_3_out_1 = Import( BALLnSTICK_Input_9_out_1, BALLnSTICK_Import_3_in_2, BALLnSTICK_Import_3_in_3, BALLnSTICK_Import_3_in_4, BALLnSTICK_Import_3_in_5, BALLnSTICK_Import_3_in_6 ) [instance: 3, cache: 1]; // // node Transmitter[1]: x = 466, y = 96, inputs = 1, label = BondOpacity // BondOpacity = BALLnSTICK_Input_12_out_1; // // node Transmitter[2]: x = 608, y = 84, inputs = 1, label = BondColor // BondColor = BALLnSTICK_Input_13_out_1; // // node Transmitter[3]: x = 728, y = 81, inputs = 1, label = BondDiameter // BondDiameter = BALLnSTICK_Input_14_out_1; // // node Receiver[1]: x = 247, y = 371, inputs = 1, label = BondOpacity // BALLnSTICK_Receiver_1_out_1 = BondOpacity; // // node Receiver[2]: x = 134, y = 369, inputs = 1, label = BondColor // BALLnSTICK_Receiver_2_out_1 = BondColor; // // node Receiver[3]: x = 54, y = 273, inputs = 1, label = BondDiameter // BALLnSTICK_Receiver_3_out_1 = BondDiameter; // // node Map[1]: x = 201, y = 197, inputs = 4, label = Map // input[3]: defaulting = 0, visible = 1, type = 32, value = "data" // input[4]: defaulting = 0, visible = 1, type = 32, value = "colors" // BALLnSTICK_Map_1_out_1 = Map( BALLnSTICK_Import_5_out_1, BALLnSTICK_Import_2_out_1, BALLnSTICK_Map_1_in_3, BALLnSTICK_Map_1_in_4 ) [instance: 1, cache: 1]; // // node Tube[1]: x = 12, y = 404, inputs = 4, label = Tube // input[3]: defaulting = 0, visible = 1, type = 1, value = 12 // BALLnSTICK_Tube_1_out_1 = Tube( BALLnSTICK_Import_5_out_1, BALLnSTICK_Receiver_3_out_1, BALLnSTICK_Tube_1_in_3, BALLnSTICK_Tube_1_in_4 ) [instance: 1, cache: 1]; // // node Map[2]: x = 340, y = 202, inputs = 4, label = Map // input[3]: defaulting = 0, visible = 1, type = 32, value = "data" // input[4]: defaulting = 0, visible = 1, type = 32, value = "data" // BALLnSTICK_Map_2_out_1 = Map( BALLnSTICK_Map_1_out_1, BALLnSTICK_Import_3_out_1, BALLnSTICK_Map_2_in_3, BALLnSTICK_Map_2_in_4 ) [instance: 2, cache: 1]; // // node Glyph[1]: x = 416, y = 440, inputs = 7, label = Glyph // input[5]: defaulting = 0, visible = 1, type = 5, value = 0.00000 // input[6]: defaulting = 0, visible = 1, type = 5, value = 0.00000 // input[7]: defaulting = 0, visible = 1, type = 5, value = 1.00000 // BALLnSTICK_Glyph_1_out_1 = Glyph( BALLnSTICK_Map_2_out_1, BALLnSTICK_Input_10_out_1, BALLnSTICK_Glyph_1_in_3, BALLnSTICK_Input_11_out_1, BALLnSTICK_Glyph_1_in_5, BALLnSTICK_Glyph_1_in_6, BALLnSTICK_Glyph_1_in_7 ) [instance: 1, cache: 1]; // // node Color[1]: x = 47, y = 506, inputs = 5, label = Color // BALLnSTICK_Color_1_out_1 = Color( BALLnSTICK_Tube_1_out_1, BALLnSTICK_Receiver_2_out_1, BALLnSTICK_Receiver_1_out_1, BALLnSTICK_Color_1_in_4, BALLnSTICK_Color_1_in_5 ) [instance: 1, cache: 1]; // // node Collect[1]: x = 217, y = 519, inputs = 2, label = Collect // BALLnSTICK_Collect_1_out_1 = Collect( BALLnSTICK_Color_1_out_1, BALLnSTICK_Glyph_1_out_1 ) [instance: 1, cache: 1]; // // node Output[2]: x = 360, y = 548, inputs = 1, label = Output // // parameter: position = 1, name = 'output_1', value = ' ', descriptive = 0, description = ' ', required = 0 output_1 = BALLnSTICK_Collect_1_out_1; // network: end of macro body } BALLnSTICK_Input_7_out_1 = NULL; BALLnSTICK_Input_8_out_1 = NULL; BALLnSTICK_Input_9_out_1 = NULL; BALLnSTICK_Input_10_out_1 = NULL; BALLnSTICK_Input_11_out_1 = NULL; BALLnSTICK_Input_12_out_1 = NULL; BALLnSTICK_Input_13_out_1 = NULL; BALLnSTICK_Input_14_out_1 = NULL; BALLnSTICK_Import_5_in_2 = NULL; BALLnSTICK_Import_5_in_3 = NULL; BALLnSTICK_Import_5_in_4 = NULL; BALLnSTICK_Import_5_in_5 = NULL; BALLnSTICK_Import_5_in_6 = NULL; BALLnSTICK_Import_5_out_1 = NULL; BALLnSTICK_Import_2_in_2 = NULL; BALLnSTICK_Import_2_in_3 = NULL; BALLnSTICK_Import_2_in_4 = NULL; BALLnSTICK_Import_2_in_5 = NULL; BALLnSTICK_Import_2_in_6 = NULL; BALLnSTICK_Import_2_out_1 = NULL; BALLnSTICK_Import_3_in_2 = NULL; BALLnSTICK_Import_3_in_3 = NULL; BALLnSTICK_Import_3_in_4 = NULL; BALLnSTICK_Import_3_in_5 = NULL; BALLnSTICK_Import_3_in_6 = NULL; BALLnSTICK_Import_3_out_1 = NULL; BALLnSTICK_Transmitter_1_out_1 = NULL; BALLnSTICK_Transmitter_2_out_1 = NULL; BALLnSTICK_Transmitter_3_out_1 = NULL; BALLnSTICK_Receiver_1_out_1 = NULL; BALLnSTICK_Receiver_2_out_1 = NULL; BALLnSTICK_Receiver_3_out_1 = NULL; BALLnSTICK_Map_1_in_3 = "data"; BALLnSTICK_Map_1_in_4 = "colors"; BALLnSTICK_Map_1_out_1 = NULL; BALLnSTICK_Tube_1_in_3 = 12; BALLnSTICK_Tube_1_in_4 = NULL; BALLnSTICK_Tube_1_out_1 = NULL; BALLnSTICK_Map_2_in_3 = "data"; BALLnSTICK_Map_2_in_4 = "data"; BALLnSTICK_Map_2_out_1 = NULL; BALLnSTICK_Glyph_1_in_3 = NULL; BALLnSTICK_Glyph_1_in_5 = 0.00000; BALLnSTICK_Glyph_1_in_6 = 0.00000; BALLnSTICK_Glyph_1_in_7 = 1.00000; BALLnSTICK_Glyph_1_out_1 = NULL; BALLnSTICK_Color_1_in_4 = NULL; BALLnSTICK_Color_1_in_5 = NULL; BALLnSTICK_Color_1_out_1 = NULL; BALLnSTICK_Collect_1_out_1 = NULL;