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 75 atoms. PyMOL>color cyan,ss s PyMOL>color gray,ss ""+l Executive: Colored 1491 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: 1.28 sec. = 2805.3 frames/hour (1.28 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 297 atoms. PyMOL>hide everything,all PyMOL>show lines,bb PyMOL>color blue,bb Executive: Colored 297 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: 3.43 sec. = 1048.1 frames/hour (4.72 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, 1.6978126764297485, 3.5470144748687744, 1.6024683713912964, 3.7577199935913086, 3.3477225303649902, 2.3634355068206787, 2.3688678741455078, 2.2693111896514893, 2.8791389465332031, 2.4127624034881592, 3.5593400001525879, 2.3162050247192383, 2.4983367919921875, 2.2223210334777832, 2.927994966506958, 1.944435715675354, 1.7788436412811279, 2.5745944976806641, 1.632001519203186] -> atom index_map = [None, 2, 19, 31, 45, 60, 72, 86, 106, 120, 144, 165, 175, 194, 204, 221, 236, 253, 272, 294, 311, 323, 337, 347, 358, 382, 392, 411, 421, 440, 460, 475, 490, 509, 525, 540, 554, 566, 580, 592, 613, 629, 636, 650, 671, 692, 709, 728, 735, 757, 776, 797, 812, 836, 855, 867, 891, 905, 917, 929, 939, 958, 970, 984, 1005, 1015, 1032, 1039, 1058, 1073, 1089, 1099, 1123, 1138, 1153, 1160, 1174, 1191, 1213, 1225, 1244, 1255, 1270, 1289, 1306, 1318, 1328, 1350, 1369, 1391, 1401, 1416, 1423, 1442, 1457, 1474, 1491, 1508, 1525, 1542] "obj and name CA" index = 1 rmsd = 2.267 "obj and name CA" index = 2 rmsd = 1.785 "obj and name CA" index = 3 rmsd = 1.691 "obj and name CA" index = 4 rmsd = 1.696 "obj and name CA" index = 5 rmsd = 1.204 "obj and name CA" index = 6 rmsd = 0.914 "obj and name CA" index = 7 rmsd = 0.737 "obj and name CA" index = 8 rmsd = 0.878 "obj and name CA" index = 9 rmsd = 0.720 "obj and name CA" index = 10 rmsd = 0.432 "obj and name CA" index = 11 rmsd = 0.654 "obj and name CA" index = 12 rmsd = 0.657 "obj and name CA" index = 13 rmsd = 0.433 "obj and name CA" index = 14 rmsd = 0.731 "obj and name CA" index = 15 rmsd = 0.930 "obj and name CA" index = 16 rmsd = 0.708 "obj and name CA" index = 17 rmsd = 1.059 "obj and name CA" index = 18 rmsd = 1.345 "obj and name CA" index = 19 rmsd = 1.100 "obj and name CA" index = 20 rmsd = 1.236 "obj and name CA" index = 21 rmsd = 0.847 "obj and name CA" index = 22 rmsd = 1.126 "obj and name CA" index = 23 rmsd = 1.161 "obj and name CA" index = 24 rmsd = 0.764 "obj and name CA" index = 25 rmsd = 0.602 "obj and name CA" index = 26 rmsd = 0.907 "obj and name CA" index = 27 rmsd = 0.930 "obj and name CA" index = 28 rmsd = 0.630 "obj and name CA" index = 29 rmsd = 0.541 "obj and name CA" index = 30 rmsd = 0.925 "obj and name CA" index = 31 rmsd = 1.001 "obj and name CA" index = 32 rmsd = 0.690 "obj and name CA" index = 33 rmsd = 0.768 "obj and name CA" index = 34 rmsd = 1.091 "obj and name CA" index = 35 rmsd = 1.105 "obj and name CA" index = 36 rmsd = 0.822 "obj and name CA" index = 37 rmsd = 0.694 "obj and name CA" index = 38 rmsd = 0.678 "obj and name CA" index = 39 rmsd = 0.570 "obj and name CA" index = 40 rmsd = 0.510 "obj and name CA" index = 41 rmsd = 0.429 "obj and name CA" index = 42 rmsd = 0.338 "obj and name CA" index = 43 rmsd = 0.443 "obj and name CA" index = 44 rmsd = 0.474 "obj and name CA" index = 45 rmsd = 0.480 "obj and name CA" index = 46 rmsd = 0.500 "obj and name CA" index = 47 rmsd = 0.676 "obj and name CA" index = 48 rmsd = 0.747 "obj and name CA" index = 49 rmsd = 0.806 "obj and name CA" index = 50 rmsd = 0.916 "obj and name CA" index = 51 rmsd = 1.120 "obj and name CA" index = 52 rmsd = 1.269 "obj and name CA" index = 53 rmsd = 1.336 "obj and name CA" index = 54 rmsd = 1.502 "obj and name CA" index = 55 rmsd = 1.305 "obj and name CA" index = 56 rmsd = 1.372 "obj and name CA" index = 57 rmsd = 1.425 "obj and name CA" index = 58 rmsd = 1.108 "obj and name CA" index = 59 rmsd = 0.914 "obj and name CA" index = 60 rmsd = 1.021 "obj and name CA" index = 61 rmsd = 0.972 "obj and name CA" index = 62 rmsd = 0.716 "obj and name CA" index = 63 rmsd = 0.680 "obj and name CA" index = 64 rmsd = 0.864 "obj and name CA" index = 65 rmsd = 0.781 "obj and name CA" index = 66 rmsd = 0.584 "obj and name CA" index = 67 rmsd = 0.724 "obj and name CA" index = 68 rmsd = 0.893 "obj and name CA" index = 69 rmsd = 0.859 "obj and name CA" index = 70 rmsd = 0.719 "obj and name CA" index = 71 rmsd = 1.011 "obj and name CA" index = 72 rmsd = 1.252 "obj and name CA" index = 73 rmsd = 1.193 "obj and name CA" index = 74 rmsd = 0.992 "obj and name CA" index = 75 rmsd = 1.000 "obj and name CA" index = 76 rmsd = 0.941 "obj and name CA" index = 77 rmsd = 0.917 "obj and name CA" index = 78 rmsd = 0.696 "obj and name CA" index = 79 rmsd = 0.710 "obj and name CA" index = 80 rmsd = 0.815 "obj and name CA" index = 81 rmsd = 0.771 "obj and name CA" index = 82 rmsd = 0.643 "obj and name CA" index = 83 rmsd = 0.853 "obj and name CA" index = 84 rmsd = 1.011 "obj and name CA" index = 85 rmsd = 0.872 "obj and name CA" index = 86 rmsd = 1.011 "obj and name CA" index = 87 rmsd = 1.267 "obj and name CA" index = 88 rmsd = 1.311 "obj and name CA" index = 89 rmsd = 1.261 "obj and name CA" index = 90 rmsd = 1.464 "obj and name CA" index = 91 rmsd = 1.620 "obj and name CA" index = 92 rmsd = 1.718 "obj and name CA" index = 93 rmsd = 2.141 "obj and name CA" index = 94 rmsd = 2.461 "obj and name CA" index = 95 rmsd = 3.355 "obj and name CA" index = 96 rmsd = 4.795 "obj and name CA" index = 97 rmsd = 6.850 "obj and name CA" index = 98 rmsd = 8.300 "obj and name CA" index = 99 rmsd = 10.068 PyMOL>cartoon putty, yesfit_ALL and name CA PyMOL>show cartoon, yesfit_ALL and name CA PyMOL>color red, ss h Executive: Colored 225 atoms. PyMOL>color cyan,ss s PyMOL>color gray,ss ""+l Executive: Colored 2998 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. = 2114.6 frames/hour (6.42 sec. accum.). PyMOL>png sausage.png ScenePNG: wrote 600x600 pixel image to file "sausage.png". PyMOL>quit