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 13 atoms. PyMOL>color cyan,ss s Executive: Colored 8 atoms. PyMOL>color gray,ss ""+l Executive: Colored 1159 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: 0.87 sec. = 4147.9 frames/hour (0.87 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 234 atoms. PyMOL>hide everything,all PyMOL>show lines,bb PyMOL>color blue,bb Executive: Colored 234 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: 3.32 sec. = 1083.3 frames/hour (4.19 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, 7.9299459457397461, 5.5783162117004395, 3.7137749195098877, 6.0682353973388672, 2.5179030895233154, 8.1092433929443359, 10.849311828613281, 3.8567194938659668, 4.9888663291931152, 7.1469302177429199, 2.9696896076202393, 10.213878631591797, 4.2567520141601562, 6.682828426361084, 7.9494242668151855, 6.5981621742248535, 4.0334987640380859, 4.9455356597900391, 6.4169769287109375] -> atom index_map = [None, 2, 21, 35, 54, 68, 84, 98, 105, 127, 141, 152, 166, 182, 194, 201, 211, 226, 237, 256, 270, 286, 300, 315, 334, 353, 364, 374, 393, 415, 431, 441, 458, 468, 483, 504, 520, 534, 550, 565, 584, 598, 605, 620, 636, 655, 670, 694, 709, 719, 739, 751, 761, 775, 789, 805, 827, 839, 846, 858, 868, 884, 899, 919, 938, 959, 979, 996, 1003, 1010, 1017, 1039, 1058, 1073, 1090, 1107, 1124, 1141, 1158] "obj and name CA" index = 1 rmsd = 3.923 "obj and name CA" index = 2 rmsd = 3.928 "obj and name CA" index = 3 rmsd = 3.272 "obj and name CA" index = 4 rmsd = 3.541 "obj and name CA" index = 5 rmsd = 3.583 "obj and name CA" index = 6 rmsd = 3.886 "obj and name CA" index = 7 rmsd = 4.331 "obj and name CA" index = 8 rmsd = 4.773 "obj and name CA" index = 9 rmsd = 4.616 "obj and name CA" index = 10 rmsd = 4.728 "obj and name CA" index = 11 rmsd = 4.655 "obj and name CA" index = 12 rmsd = 4.270 "obj and name CA" index = 13 rmsd = 5.180 "obj and name CA" index = 14 rmsd = 5.297 "obj and name CA" index = 15 rmsd = 4.457 "obj and name CA" index = 16 rmsd = 3.898 "obj and name CA" index = 17 rmsd = 3.004 "obj and name CA" index = 18 rmsd = 2.544 "obj and name CA" index = 19 rmsd = 1.945 "obj and name CA" index = 20 rmsd = 1.475 "obj and name CA" index = 21 rmsd = 2.028 "obj and name CA" index = 22 rmsd = 2.513 "obj and name CA" index = 23 rmsd = 2.377 "obj and name CA" index = 24 rmsd = 2.407 "obj and name CA" index = 25 rmsd = 3.033 "obj and name CA" index = 26 rmsd = 3.431 "obj and name CA" index = 27 rmsd = 3.346 "obj and name CA" index = 28 rmsd = 3.543 "obj and name CA" index = 29 rmsd = 3.045 "obj and name CA" index = 30 rmsd = 3.303 "obj and name CA" index = 31 rmsd = 2.806 "obj and name CA" index = 32 rmsd = 2.846 "obj and name CA" index = 33 rmsd = 3.062 "obj and name CA" index = 34 rmsd = 2.694 "obj and name CA" index = 35 rmsd = 2.158 "obj and name CA" index = 36 rmsd = 1.910 "obj and name CA" index = 37 rmsd = 1.612 "obj and name CA" index = 38 rmsd = 1.829 "obj and name CA" index = 39 rmsd = 1.630 "obj and name CA" index = 40 rmsd = 2.280 "obj and name CA" index = 41 rmsd = 2.662 "obj and name CA" index = 42 rmsd = 2.292 "obj and name CA" index = 43 rmsd = 2.087 "obj and name CA" index = 44 rmsd = 1.664 "obj and name CA" index = 45 rmsd = 2.252 "obj and name CA" index = 46 rmsd = 2.387 "obj and name CA" index = 47 rmsd = 2.857 "obj and name CA" index = 48 rmsd = 2.187 "obj and name CA" index = 49 rmsd = 1.621 "obj and name CA" index = 50 rmsd = 2.331 "obj and name CA" index = 51 rmsd = 2.563 "obj and name CA" index = 52 rmsd = 1.689 "obj and name CA" index = 53 rmsd = 1.689 "obj and name CA" index = 54 rmsd = 1.703 "obj and name CA" index = 55 rmsd = 2.414 "obj and name CA" index = 56 rmsd = 3.018 "obj and name CA" index = 57 rmsd = 3.099 "obj and name CA" index = 58 rmsd = 2.394 "obj and name CA" index = 59 rmsd = 2.537 "obj and name CA" index = 60 rmsd = 2.113 "obj and name CA" index = 61 rmsd = 2.276 "obj and name CA" index = 62 rmsd = 2.392 "obj and name CA" index = 63 rmsd = 2.837 "obj and name CA" index = 64 rmsd = 3.298 "obj and name CA" index = 65 rmsd = 2.920 "obj and name CA" index = 66 rmsd = 4.387 "obj and name CA" index = 67 rmsd = 5.328 "obj and name CA" index = 68 rmsd = 6.224 "obj and name CA" index = 69 rmsd = 7.222 "obj and name CA" index = 70 rmsd = 7.362 "obj and name CA" index = 71 rmsd = 7.873 "obj and name CA" index = 72 rmsd = 8.425 "obj and name CA" index = 73 rmsd = 10.074 "obj and name CA" index = 74 rmsd = 11.100 "obj and name CA" index = 75 rmsd = 12.586 "obj and name CA" index = 76 rmsd = 14.586 "obj and name CA" index = 77 rmsd = 15.924 "obj and name CA" index = 78 rmsd = 18.314 PyMOL>cartoon putty, yesfit_ALL and name CA PyMOL>show cartoon, yesfit_ALL and name CA PyMOL>color red, ss h Executive: Colored 39 atoms. PyMOL>color cyan,ss s Executive: Colored 24 atoms. PyMOL>color gray,ss ""+l Executive: Colored 2369 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: 1.55 sec. = 2325.6 frames/hour (5.74 sec. accum.). PyMOL>png sausage.png ScenePNG: wrote 600x600 pixel image to file "sausage.png". PyMOL>quit