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 4 atoms. PyMOL>color cyan,ss s Executive: Colored 47 atoms. PyMOL>color gray,ss ""+l Executive: Colored 1477 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: 1.35 sec. = 2672.1 frames/hour (1.35 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 294 atoms. PyMOL>hide everything,all PyMOL>show lines,bb PyMOL>color blue,bb Executive: Colored 294 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: 5.60 sec. = 643.2 frames/hour (6.94 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, 1.1869606971740723, 1.4916437864303589, 1.7976219654083252, 1.4716405868530273, 1.5297831296920776, 1.3370301723480225, 1.2156133651733398, 1.1146864891052246, 0.98715424537658691, 1.4473958015441895, 1.6655751466751099, 1.7469213008880615, 2.5596435070037842, 1.199010968208313, 1.2740935087203979, 1.601107120513916, 1.6224241256713867, 1.5272283554077148, 1.3264962434768677] -> atom index_map = [None, 2, 21, 35, 56, 78, 97, 108, 123, 142, 159, 173, 187, 206, 217, 224, 238, 257, 271, 281, 296, 312, 328, 338, 348, 369, 383, 405, 427, 442, 462, 473, 497, 519, 531, 538, 552, 574, 581, 598, 617, 639, 650, 669, 689, 708, 730, 742, 754, 768, 775, 786, 805, 829, 836, 850, 869, 893, 907, 922, 941, 951, 963, 983, 998, 1014, 1036, 1058, 1065, 1077, 1096, 1106, 1121, 1137, 1148, 1155, 1176, 1192, 1214, 1231, 1238, 1259, 1270, 1277, 1296, 1311, 1330, 1341, 1357, 1369, 1383, 1402, 1409, 1428, 1447, 1462, 1484, 1495, 1514] "obj and name CA" index = 1 rmsd = 0.505 "obj and name CA" index = 2 rmsd = 0.473 "obj and name CA" index = 3 rmsd = 0.472 "obj and name CA" index = 4 rmsd = 0.684 "obj and name CA" index = 5 rmsd = 0.559 "obj and name CA" index = 6 rmsd = 0.704 "obj and name CA" index = 7 rmsd = 0.708 "obj and name CA" index = 8 rmsd = 0.509 "obj and name CA" index = 9 rmsd = 0.689 "obj and name CA" index = 10 rmsd = 0.657 "obj and name CA" index = 11 rmsd = 0.669 "obj and name CA" index = 12 rmsd = 0.429 "obj and name CA" index = 13 rmsd = 0.438 "obj and name CA" index = 14 rmsd = 0.378 "obj and name CA" index = 15 rmsd = 0.344 "obj and name CA" index = 16 rmsd = 0.407 "obj and name CA" index = 17 rmsd = 0.466 "obj and name CA" index = 18 rmsd = 0.430 "obj and name CA" index = 19 rmsd = 0.487 "obj and name CA" index = 20 rmsd = 0.491 "obj and name CA" index = 21 rmsd = 0.554 "obj and name CA" index = 22 rmsd = 0.563 "obj and name CA" index = 23 rmsd = 0.649 "obj and name CA" index = 24 rmsd = 0.820 "obj and name CA" index = 25 rmsd = 1.110 "obj and name CA" index = 26 rmsd = 0.901 "obj and name CA" index = 27 rmsd = 0.766 "obj and name CA" index = 28 rmsd = 0.737 "obj and name CA" index = 29 rmsd = 1.065 "obj and name CA" index = 30 rmsd = 1.298 "obj and name CA" index = 31 rmsd = 1.207 "obj and name CA" index = 32 rmsd = 1.830 "obj and name CA" index = 33 rmsd = 2.104 "obj and name CA" index = 34 rmsd = 2.310 "obj and name CA" index = 35 rmsd = 1.712 "obj and name CA" index = 36 rmsd = 1.549 "obj and name CA" index = 37 rmsd = 0.623 "obj and name CA" index = 38 rmsd = 0.584 "obj and name CA" index = 39 rmsd = 0.582 "obj and name CA" index = 40 rmsd = 0.618 "obj and name CA" index = 41 rmsd = 0.560 "obj and name CA" index = 42 rmsd = 0.556 "obj and name CA" index = 43 rmsd = 0.432 "obj and name CA" index = 44 rmsd = 0.412 "obj and name CA" index = 45 rmsd = 0.471 "obj and name CA" index = 46 rmsd = 0.532 "obj and name CA" index = 47 rmsd = 0.612 "obj and name CA" index = 48 rmsd = 0.810 "obj and name CA" index = 49 rmsd = 0.631 "obj and name CA" index = 50 rmsd = 0.546 "obj and name CA" index = 51 rmsd = 0.501 "obj and name CA" index = 52 rmsd = 0.470 "obj and name CA" index = 53 rmsd = 0.502 "obj and name CA" index = 54 rmsd = 0.459 "obj and name CA" index = 55 rmsd = 0.476 "obj and name CA" index = 56 rmsd = 0.540 "obj and name CA" index = 57 rmsd = 0.692 "obj and name CA" index = 58 rmsd = 0.728 "obj and name CA" index = 59 rmsd = 0.541 "obj and name CA" index = 60 rmsd = 0.615 "obj and name CA" index = 61 rmsd = 0.708 "obj and name CA" index = 62 rmsd = 0.582 "obj and name CA" index = 63 rmsd = 0.774 "obj and name CA" index = 64 rmsd = 0.824 "obj and name CA" index = 65 rmsd = 0.787 "obj and name CA" index = 66 rmsd = 0.683 "obj and name CA" index = 67 rmsd = 0.714 "obj and name CA" index = 68 rmsd = 0.807 "obj and name CA" index = 69 rmsd = 0.657 "obj and name CA" index = 70 rmsd = 0.551 "obj and name CA" index = 71 rmsd = 0.476 "obj and name CA" index = 72 rmsd = 0.391 "obj and name CA" index = 73 rmsd = 0.407 "obj and name CA" index = 74 rmsd = 0.389 "obj and name CA" index = 75 rmsd = 0.397 "obj and name CA" index = 76 rmsd = 0.486 "obj and name CA" index = 77 rmsd = 0.805 "obj and name CA" index = 78 rmsd = 1.109 "obj and name CA" index = 79 rmsd = 1.795 "obj and name CA" index = 80 rmsd = 2.625 "obj and name CA" index = 81 rmsd = 2.666 "obj and name CA" index = 82 rmsd = 1.748 "obj and name CA" index = 83 rmsd = 0.846 "obj and name CA" index = 84 rmsd = 0.732 "obj and name CA" index = 85 rmsd = 0.398 "obj and name CA" index = 86 rmsd = 0.400 "obj and name CA" index = 87 rmsd = 0.381 "obj and name CA" index = 88 rmsd = 0.482 "obj and name CA" index = 89 rmsd = 0.524 "obj and name CA" index = 90 rmsd = 0.496 "obj and name CA" index = 91 rmsd = 0.617 "obj and name CA" index = 92 rmsd = 0.692 "obj and name CA" index = 93 rmsd = 0.741 "obj and name CA" index = 94 rmsd = 0.780 "obj and name CA" index = 95 rmsd = 1.108 "obj and name CA" index = 96 rmsd = 2.566 "obj and name CA" index = 97 rmsd = 4.029 "obj and name CA" index = 98 rmsd = 5.666 PyMOL>cartoon putty, yesfit_ALL and name CA PyMOL>show cartoon, yesfit_ALL and name CA PyMOL>color red, ss h Executive: Colored 12 atoms. PyMOL>color cyan,ss s Executive: Colored 141 atoms. PyMOL>color gray,ss ""+l Executive: Colored 3001 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: 1.66 sec. = 2169.4 frames/hour (8.60 sec. accum.). PyMOL>png sausage.png ScenePNG: wrote 600x600 pixel image to file "sausage.png". PyMOL>quit