PyMOL>load ./selSi.pdb,obj ObjectMolReadPDBStr: read MODEL 1 ObjectMolReadPDBStr: read MODEL 2 ObjectMolReadPDBStr: read MODEL 3 ObjectMolReadPDBStr: read MODEL 4 ObjectMolReadPDBStr: read MODEL 5 ObjectMolReadPDBStr: read MODEL 6 ObjectMolReadPDBStr: read MODEL 7 ObjectMolReadPDBStr: read MODEL 8 ObjectMolReadPDBStr: read MODEL 9 ObjectMolReadPDBStr: read MODEL 10 ObjectMolReadPDBStr: read MODEL 11 ObjectMolReadPDBStr: read MODEL 12 ObjectMolReadPDBStr: read MODEL 13 ObjectMolReadPDBStr: read MODEL 14 ObjectMolReadPDBStr: read MODEL 15 ObjectMolReadPDBStr: read MODEL 16 ObjectMolReadPDBStr: read MODEL 17 ObjectMolReadPDBStr: read MODEL 18 ObjectMolReadPDBStr: read MODEL 19 ObjectMolReadPDBStr: read MODEL 20 CmdLoad: "./selSi.pdb" loaded as "obj". PyMOL>hide everything, all PyMOL>dss PyMOL>show cartoon, all PyMOL>set bg_rgb, [1,1,1] Setting: bg_rgb set to [ 1.00000, 1.00000, 1.00000 ]. PyMOL>color red, ss h Executive: Colored 37 atoms. PyMOL>color cyan,ss s PyMOL>color gray,ss ""+l Executive: Colored 1304 atoms. PyMOL>set cartoon_highlight_color,yellow Setting: cartoon_highlight_color set to yellow. PyMOL>orient PyMOL>set ray_trace_mode, 3 Setting: ray_trace_mode set to 3. PyMOL>set antialias, 2 Setting: antialias set to 2. PyMOL>ray 600,600 Ray: render time: 0.91 sec. = 3945.2 frames/hour (0.91 sec. accum.). PyMOL>png molecule.png ScenePNG: wrote 600x600 pixel image to file "molecule.png". PyMOL>set stereo,1 Setting: stereo set to on. PyMOL>set all_states,1 Setting: all_states set to on. PyMOL>stereo walleye Setting: stereo_mode set to 3. PyMOL>select bb,n. c+ca+n Selector: selection "bb" defined with 249 atoms. PyMOL>hide everything,all PyMOL>show lines,bb PyMOL>color blue,bb Executive: Colored 249 atoms. PyMOL>set line_width,0.5 Setting: line_width set to 0.50000. PyMOL>set bg_rgb, [1,1,1] Setting: bg_rgb set to [ 1.00000, 1.00000, 1.00000 ]. PyMOL>zoom complete=1 PyMOL>set ray_trace_mode, 0 Setting: ray_trace_mode set to 0. PyMOL>ray 1200,600 Ray: render time: 3.17 sec. = 1135.8 frames/hour (4.08 sec. accum.). PyMOL>png stereo.png ScenePNG: wrote 1200x600 pixel image to file "stereo.png". PyMOL>run /data/PSVS/PSVS-v1.4-dev/strcalc//average3d.py PyMOL>from average3d import avgStates Traceback (most recent call last): File "/farm/software/pymol-1.1r1-x64/modules/pymol/parser.py", line 455, in parse exec(layer.com2+"\n",self.pymol_names,self.pymol_names) File "", line 1, in ? ImportError: No module named average3d PyMOL>set all_states,1 Setting: all_states set to on. PyMOL>set stereo,0 Setting: stereo set to off. PyMOL>hide everything, all PyMOL>avgStates('obj','name CA',1,0,'yesfit_ALL','yes',1,0,0) -------------------------------------------------------------------------------- Averaging 20 states [1, 20] of object "obj and name CA" (20 total states) to get new single-state object "yesfit_ALL"... -------------------------------------------------------------------------------- -> proceeding WITH FITTING to reference state... intrafit_rmsds = [-1.0, 8.7438421249389648, 4.3052034378051758, 4.7572054862976074, 4.6143441200256348, 6.6617317199707031, 6.488853931427002, 5.0526719093322754, 5.409947395324707, 5.2403559684753418, 6.4657511711120605, 6.5777206420898438, 4.7004027366638184, 5.9221887588500977, 2.6685166358947754, 7.3166618347167969, 3.0339024066925049, 7.5403380393981934, 7.5002756118774414, 3.840829610824585] -> atom index_map = [None, 2, 21, 28, 45, 62, 79, 96, 113, 130, 141, 158, 175, 194, 208, 222, 237, 254, 278, 289, 306, 320, 334, 350, 374, 388, 398, 417, 439, 451, 470, 489, 511, 523, 540, 554, 571, 582, 593, 612, 622, 644, 659, 670, 684, 703, 714, 731, 742, 759, 778, 789, 800, 819, 835, 849, 860, 874, 895, 916, 926, 940, 956, 967, 977, 987, 1009, 1020, 1037, 1052, 1072, 1079, 1103, 1127, 1148, 1170, 1187, 1207, 1229, 1251, 1265, 1287, 1299, 1316] "obj and name CA" index = 1 rmsd = 14.903 "obj and name CA" index = 2 rmsd = 13.304 "obj and name CA" index = 3 rmsd = 11.301 "obj and name CA" index = 4 rmsd = 9.691 "obj and name CA" index = 5 rmsd = 8.119 "obj and name CA" index = 6 rmsd = 6.773 "obj and name CA" index = 7 rmsd = 5.146 "obj and name CA" index = 8 rmsd = 3.840 "obj and name CA" index = 9 rmsd = 3.427 "obj and name CA" index = 10 rmsd = 3.028 "obj and name CA" index = 11 rmsd = 2.661 "obj and name CA" index = 12 rmsd = 2.743 "obj and name CA" index = 13 rmsd = 3.042 "obj and name CA" index = 14 rmsd = 3.012 "obj and name CA" index = 15 rmsd = 3.136 "obj and name CA" index = 16 rmsd = 2.717 "obj and name CA" index = 17 rmsd = 2.271 "obj and name CA" index = 18 rmsd = 2.661 "obj and name CA" index = 19 rmsd = 2.511 "obj and name CA" index = 20 rmsd = 2.686 "obj and name CA" index = 21 rmsd = 2.343 "obj and name CA" index = 22 rmsd = 1.703 "obj and name CA" index = 23 rmsd = 1.916 "obj and name CA" index = 24 rmsd = 2.303 "obj and name CA" index = 25 rmsd = 1.838 "obj and name CA" index = 26 rmsd = 1.614 "obj and name CA" index = 27 rmsd = 2.098 "obj and name CA" index = 28 rmsd = 2.392 "obj and name CA" index = 29 rmsd = 2.129 "obj and name CA" index = 30 rmsd = 2.190 "obj and name CA" index = 31 rmsd = 2.731 "obj and name CA" index = 32 rmsd = 2.992 "obj and name CA" index = 33 rmsd = 2.615 "obj and name CA" index = 34 rmsd = 2.544 "obj and name CA" index = 35 rmsd = 2.148 "obj and name CA" index = 36 rmsd = 2.209 "obj and name CA" index = 37 rmsd = 2.452 "obj and name CA" index = 38 rmsd = 1.930 "obj and name CA" index = 39 rmsd = 1.481 "obj and name CA" index = 40 rmsd = 1.888 "obj and name CA" index = 41 rmsd = 2.148 "obj and name CA" index = 42 rmsd = 1.560 "obj and name CA" index = 43 rmsd = 1.484 "obj and name CA" index = 44 rmsd = 1.065 "obj and name CA" index = 45 rmsd = 1.265 "obj and name CA" index = 46 rmsd = 1.559 "obj and name CA" index = 47 rmsd = 1.565 "obj and name CA" index = 48 rmsd = 1.326 "obj and name CA" index = 49 rmsd = 1.318 "obj and name CA" index = 50 rmsd = 1.752 "obj and name CA" index = 51 rmsd = 1.880 "obj and name CA" index = 52 rmsd = 1.917 "obj and name CA" index = 53 rmsd = 2.261 "obj and name CA" index = 54 rmsd = 2.577 "obj and name CA" index = 55 rmsd = 2.775 "obj and name CA" index = 56 rmsd = 3.642 "obj and name CA" index = 57 rmsd = 3.920 "obj and name CA" index = 58 rmsd = 2.799 "obj and name CA" index = 59 rmsd = 3.653 "obj and name CA" index = 60 rmsd = 3.536 "obj and name CA" index = 61 rmsd = 2.509 "obj and name CA" index = 62 rmsd = 2.209 "obj and name CA" index = 63 rmsd = 2.099 "obj and name CA" index = 64 rmsd = 1.853 "obj and name CA" index = 65 rmsd = 1.709 "obj and name CA" index = 66 rmsd = 1.754 "obj and name CA" index = 67 rmsd = 1.818 "obj and name CA" index = 68 rmsd = 1.426 "obj and name CA" index = 69 rmsd = 0.988 "obj and name CA" index = 70 rmsd = 1.471 "obj and name CA" index = 71 rmsd = 1.587 "obj and name CA" index = 72 rmsd = 1.310 "obj and name CA" index = 73 rmsd = 1.590 "obj and name CA" index = 74 rmsd = 1.896 "obj and name CA" index = 75 rmsd = 1.804 "obj and name CA" index = 76 rmsd = 2.037 "obj and name CA" index = 77 rmsd = 2.572 "obj and name CA" index = 78 rmsd = 2.289 "obj and name CA" index = 79 rmsd = 3.942 "obj and name CA" index = 80 rmsd = 5.113 "obj and name CA" index = 81 rmsd = 6.288 "obj and name CA" index = 82 rmsd = 7.848 "obj and name CA" index = 83 rmsd = 9.523 PyMOL>cartoon putty, yesfit_ALL and name CA PyMOL>show cartoon, yesfit_ALL and name CA PyMOL>color red, ss h Executive: Colored 111 atoms. PyMOL>color cyan,ss s PyMOL>color gray,ss ""+l Executive: Colored 2645 atoms. PyMOL>set cartoon_highlight_color,yellow Setting: cartoon_highlight_color set to yellow. PyMOL>set bg_rgb, [1,1,1] Setting: bg_rgb set to [ 1.00000, 1.00000, 1.00000 ]. PyMOL>set ray_trace_mode, 3 Setting: ray_trace_mode set to 3. PyMOL>ray 600,600 Ray: render time: 1.70 sec. = 2115.3 frames/hour (5.78 sec. accum.). PyMOL>png sausage.png ScenePNG: wrote 600x600 pixel image to file "sausage.png". PyMOL>quit