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 42 atoms. PyMOL>color cyan,ss s PyMOL>color gray,ss ""+l Executive: Colored 1296 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: 1.00 sec. = 3582.9 frames/hour (1.00 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: 3.51 sec. = 1025.0 frames/hour (4.52 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, 5.0276274681091309, 5.2773146629333496, 4.922266960144043, 4.6673665046691895, 6.7277336120605469, 7.5011825561523438, 6.0361766815185547, 3.8946940898895264, 2.9106481075286865, 3.9226436614990234, 4.2837510108947754, 5.4207463264465332, 3.0142402648925781, 4.6826877593994141, 5.0676336288452148, 5.503943920135498, 7.7125229835510254, 3.5761544704437256, 4.6143622398376465] -> 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 = 14.078 "obj and name CA" index = 2 rmsd = 13.018 "obj and name CA" index = 3 rmsd = 11.387 "obj and name CA" index = 4 rmsd = 9.656 "obj and name CA" index = 5 rmsd = 7.846 "obj and name CA" index = 6 rmsd = 6.406 "obj and name CA" index = 7 rmsd = 4.718 "obj and name CA" index = 8 rmsd = 3.574 "obj and name CA" index = 9 rmsd = 4.022 "obj and name CA" index = 10 rmsd = 3.594 "obj and name CA" index = 11 rmsd = 3.183 "obj and name CA" index = 12 rmsd = 3.241 "obj and name CA" index = 13 rmsd = 3.414 "obj and name CA" index = 14 rmsd = 3.191 "obj and name CA" index = 15 rmsd = 3.533 "obj and name CA" index = 16 rmsd = 3.399 "obj and name CA" index = 17 rmsd = 2.553 "obj and name CA" index = 18 rmsd = 2.879 "obj and name CA" index = 19 rmsd = 2.594 "obj and name CA" index = 20 rmsd = 2.762 "obj and name CA" index = 21 rmsd = 2.522 "obj and name CA" index = 22 rmsd = 1.649 "obj and name CA" index = 23 rmsd = 1.835 "obj and name CA" index = 24 rmsd = 2.419 "obj and name CA" index = 25 rmsd = 2.073 "obj and name CA" index = 26 rmsd = 1.622 "obj and name CA" index = 27 rmsd = 2.242 "obj and name CA" index = 28 rmsd = 2.847 "obj and name CA" index = 29 rmsd = 2.364 "obj and name CA" index = 30 rmsd = 2.440 "obj and name CA" index = 31 rmsd = 3.225 "obj and name CA" index = 32 rmsd = 3.386 "obj and name CA" index = 33 rmsd = 2.899 "obj and name CA" index = 34 rmsd = 2.948 "obj and name CA" index = 35 rmsd = 2.301 "obj and name CA" index = 36 rmsd = 2.725 "obj and name CA" index = 37 rmsd = 2.858 "obj and name CA" index = 38 rmsd = 2.150 "obj and name CA" index = 39 rmsd = 1.988 "obj and name CA" index = 40 rmsd = 2.614 "obj and name CA" index = 41 rmsd = 2.338 "obj and name CA" index = 42 rmsd = 1.692 "obj and name CA" index = 43 rmsd = 1.821 "obj and name CA" index = 44 rmsd = 1.400 "obj and name CA" index = 45 rmsd = 1.915 "obj and name CA" index = 46 rmsd = 1.849 "obj and name CA" index = 47 rmsd = 1.714 "obj and name CA" index = 48 rmsd = 1.440 "obj and name CA" index = 49 rmsd = 1.242 "obj and name CA" index = 50 rmsd = 1.563 "obj and name CA" index = 51 rmsd = 1.747 "obj and name CA" index = 52 rmsd = 1.737 "obj and name CA" index = 53 rmsd = 2.000 "obj and name CA" index = 54 rmsd = 2.278 "obj and name CA" index = 55 rmsd = 2.766 "obj and name CA" index = 56 rmsd = 3.780 "obj and name CA" index = 57 rmsd = 4.247 "obj and name CA" index = 58 rmsd = 3.312 "obj and name CA" index = 59 rmsd = 4.395 "obj and name CA" index = 60 rmsd = 3.966 "obj and name CA" index = 61 rmsd = 2.826 "obj and name CA" index = 62 rmsd = 2.627 "obj and name CA" index = 63 rmsd = 2.597 "obj and name CA" index = 64 rmsd = 2.483 "obj and name CA" index = 65 rmsd = 2.028 "obj and name CA" index = 66 rmsd = 1.942 "obj and name CA" index = 67 rmsd = 2.093 "obj and name CA" index = 68 rmsd = 1.701 "obj and name CA" index = 69 rmsd = 1.187 "obj and name CA" index = 70 rmsd = 1.694 "obj and name CA" index = 71 rmsd = 1.882 "obj and name CA" index = 72 rmsd = 1.697 "obj and name CA" index = 73 rmsd = 1.885 "obj and name CA" index = 74 rmsd = 2.456 "obj and name CA" index = 75 rmsd = 2.533 "obj and name CA" index = 76 rmsd = 2.493 "obj and name CA" index = 77 rmsd = 3.187 "obj and name CA" index = 78 rmsd = 3.067 "obj and name CA" index = 79 rmsd = 4.102 "obj and name CA" index = 80 rmsd = 4.762 "obj and name CA" index = 81 rmsd = 5.670 "obj and name CA" index = 82 rmsd = 7.178 "obj and name CA" index = 83 rmsd = 8.886 PyMOL>cartoon putty, yesfit_ALL and name CA PyMOL>show cartoon, yesfit_ALL and name CA PyMOL>color red, ss h Executive: Colored 126 atoms. PyMOL>color cyan,ss s PyMOL>color gray,ss ""+l Executive: Colored 2627 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: 1.28 sec. = 2809.9 frames/hour (5.80 sec. accum.). PyMOL>png sausage.png ScenePNG: wrote 600x600 pixel image to file "sausage.png". PyMOL>quit