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 50 atoms. PyMOL>color cyan,ss s PyMOL>color gray,ss ""+l Executive: Colored 1320 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: 0.96 sec. = 3756.8 frames/hour (0.96 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 258 atoms. PyMOL>hide everything,all PyMOL>show lines,bb PyMOL>color blue,bb Executive: Colored 258 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: 2.82 sec. = 1277.3 frames/hour (3.78 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, 4.5445671081542969, 5.8676996231079102, 6.7865500450134277, 2.8368244171142578, 6.5958251953125, 5.8152484893798828, 5.1215329170227051, 5.6290225982666016, 5.0054569244384766, 6.6933012008666992, 3.9310202598571777, 4.0017762184143066, 4.2156424522399902, 6.3545904159545898, 4.8332786560058594, 4.522911548614502, 2.80281662940979, 7.7401132583618164, 3.650684118270874] -> atom index_map = [None, 2, 21, 28, 45, 62, 79, 96, 113, 130, 141, 158, 172, 186, 201, 216, 226, 250, 269, 281, 300, 319, 341, 360, 377, 388, 412, 434, 451, 465, 484, 498, 522, 529, 548, 562, 581, 605, 627, 646, 656, 671, 690, 707, 721, 728, 738, 749, 756, 766, 781, 797, 819, 826, 842, 853, 867, 882, 892, 899, 916, 937, 947, 966, 990, 1005, 1029, 1053, 1069, 1086, 1102, 1116, 1133, 1148, 1160, 1180, 1195, 1212, 1222, 1238, 1248, 1270, 1286, 1303, 1320, 1342, 1354] "obj and name CA" index = 1 rmsd = 15.190 "obj and name CA" index = 2 rmsd = 13.609 "obj and name CA" index = 3 rmsd = 11.832 "obj and name CA" index = 4 rmsd = 9.747 "obj and name CA" index = 5 rmsd = 8.521 "obj and name CA" index = 6 rmsd = 6.950 "obj and name CA" index = 7 rmsd = 5.413 "obj and name CA" index = 8 rmsd = 3.907 "obj and name CA" index = 9 rmsd = 3.118 "obj and name CA" index = 10 rmsd = 2.871 "obj and name CA" index = 11 rmsd = 2.707 "obj and name CA" index = 12 rmsd = 3.267 "obj and name CA" index = 13 rmsd = 2.990 "obj and name CA" index = 14 rmsd = 3.064 "obj and name CA" index = 15 rmsd = 2.909 "obj and name CA" index = 16 rmsd = 2.350 "obj and name CA" index = 17 rmsd = 2.228 "obj and name CA" index = 18 rmsd = 2.527 "obj and name CA" index = 19 rmsd = 2.187 "obj and name CA" index = 20 rmsd = 1.769 "obj and name CA" index = 21 rmsd = 2.077 "obj and name CA" index = 22 rmsd = 2.209 "obj and name CA" index = 23 rmsd = 1.772 "obj and name CA" index = 24 rmsd = 1.694 "obj and name CA" index = 25 rmsd = 2.162 "obj and name CA" index = 26 rmsd = 2.158 "obj and name CA" index = 27 rmsd = 1.630 "obj and name CA" index = 28 rmsd = 1.588 "obj and name CA" index = 29 rmsd = 1.362 "obj and name CA" index = 30 rmsd = 1.405 "obj and name CA" index = 31 rmsd = 1.751 "obj and name CA" index = 32 rmsd = 1.865 "obj and name CA" index = 33 rmsd = 1.370 "obj and name CA" index = 34 rmsd = 1.440 "obj and name CA" index = 35 rmsd = 1.479 "obj and name CA" index = 36 rmsd = 1.888 "obj and name CA" index = 37 rmsd = 1.672 "obj and name CA" index = 38 rmsd = 1.367 "obj and name CA" index = 39 rmsd = 1.797 "obj and name CA" index = 40 rmsd = 2.020 "obj and name CA" index = 41 rmsd = 1.730 "obj and name CA" index = 42 rmsd = 1.831 "obj and name CA" index = 43 rmsd = 2.418 "obj and name CA" index = 44 rmsd = 2.484 "obj and name CA" index = 45 rmsd = 2.059 "obj and name CA" index = 46 rmsd = 2.149 "obj and name CA" index = 47 rmsd = 2.176 "obj and name CA" index = 48 rmsd = 2.042 "obj and name CA" index = 49 rmsd = 1.623 "obj and name CA" index = 50 rmsd = 1.544 "obj and name CA" index = 51 rmsd = 1.486 "obj and name CA" index = 52 rmsd = 1.170 "obj and name CA" index = 53 rmsd = 0.958 "obj and name CA" index = 54 rmsd = 0.963 "obj and name CA" index = 55 rmsd = 0.965 "obj and name CA" index = 56 rmsd = 0.822 "obj and name CA" index = 57 rmsd = 0.658 "obj and name CA" index = 58 rmsd = 0.937 "obj and name CA" index = 59 rmsd = 1.183 "obj and name CA" index = 60 rmsd = 1.185 "obj and name CA" index = 61 rmsd = 1.239 "obj and name CA" index = 62 rmsd = 1.580 "obj and name CA" index = 63 rmsd = 1.876 "obj and name CA" index = 64 rmsd = 1.975 "obj and name CA" index = 65 rmsd = 2.055 "obj and name CA" index = 66 rmsd = 1.750 "obj and name CA" index = 67 rmsd = 1.875 "obj and name CA" index = 68 rmsd = 1.418 "obj and name CA" index = 69 rmsd = 0.996 "obj and name CA" index = 70 rmsd = 0.952 "obj and name CA" index = 71 rmsd = 0.931 "obj and name CA" index = 72 rmsd = 1.016 "obj and name CA" index = 73 rmsd = 0.777 "obj and name CA" index = 74 rmsd = 0.683 "obj and name CA" index = 75 rmsd = 1.027 "obj and name CA" index = 76 rmsd = 1.137 "obj and name CA" index = 77 rmsd = 0.898 "obj and name CA" index = 78 rmsd = 1.194 "obj and name CA" index = 79 rmsd = 1.530 "obj and name CA" index = 80 rmsd = 1.459 "obj and name CA" index = 81 rmsd = 1.390 "obj and name CA" index = 82 rmsd = 1.670 "obj and name CA" index = 83 rmsd = 1.999 "obj and name CA" index = 84 rmsd = 2.224 "obj and name CA" index = 85 rmsd = 3.333 "obj and name CA" index = 86 rmsd = 5.331 PyMOL>cartoon putty, yesfit_ALL and name CA PyMOL>show cartoon, yesfit_ALL and name CA PyMOL>color red, ss h Executive: Colored 150 atoms. PyMOL>color cyan,ss s PyMOL>color gray,ss ""+l Executive: Colored 2670 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: 1.73 sec. = 2086.7 frames/hour (5.50 sec. accum.). PyMOL>png sausage.png ScenePNG: wrote 600x600 pixel image to file "sausage.png". PyMOL>quit