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 76 atoms. PyMOL>color cyan,ss s PyMOL>color gray,ss ""+l Executive: Colored 1488 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: 1.36 sec. = 2639.0 frames/hour (1.36 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: 2.82 sec. = 1278.3 frames/hour (4.18 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, 2.9271371364593506, 3.1627223491668701, 3.6230361461639404, 3.3592407703399658, 3.8982639312744141, 2.4325113296508789, 4.2593073844909668, 3.2703826427459717, 3.2375349998474121, 3.5217530727386475, 2.5820965766906738, 2.9559228420257568, 2.4921588897705078, 1.6396918296813965, 1.766049861907959, 3.3574197292327881, 2.6056735515594482, 3.0251486301422119, 1.4607892036437988] -> 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 = 2.258 "obj and name CA" index = 2 rmsd = 1.569 "obj and name CA" index = 3 rmsd = 1.214 "obj and name CA" index = 4 rmsd = 1.175 "obj and name CA" index = 5 rmsd = 0.907 "obj and name CA" index = 6 rmsd = 0.648 "obj and name CA" index = 7 rmsd = 0.621 "obj and name CA" index = 8 rmsd = 0.695 "obj and name CA" index = 9 rmsd = 0.566 "obj and name CA" index = 10 rmsd = 0.407 "obj and name CA" index = 11 rmsd = 0.541 "obj and name CA" index = 12 rmsd = 0.536 "obj and name CA" index = 13 rmsd = 0.355 "obj and name CA" index = 14 rmsd = 0.497 "obj and name CA" index = 15 rmsd = 0.626 "obj and name CA" index = 16 rmsd = 0.521 "obj and name CA" index = 17 rmsd = 0.552 "obj and name CA" index = 18 rmsd = 0.742 "obj and name CA" index = 19 rmsd = 0.765 "obj and name CA" index = 20 rmsd = 0.723 "obj and name CA" index = 21 rmsd = 0.567 "obj and name CA" index = 22 rmsd = 0.495 "obj and name CA" index = 23 rmsd = 0.505 "obj and name CA" index = 24 rmsd = 0.457 "obj and name CA" index = 25 rmsd = 0.323 "obj and name CA" index = 26 rmsd = 0.372 "obj and name CA" index = 27 rmsd = 0.466 "obj and name CA" index = 28 rmsd = 0.384 "obj and name CA" index = 29 rmsd = 0.298 "obj and name CA" index = 30 rmsd = 0.504 "obj and name CA" index = 31 rmsd = 0.626 "obj and name CA" index = 32 rmsd = 0.513 "obj and name CA" index = 33 rmsd = 0.545 "obj and name CA" index = 34 rmsd = 0.766 "obj and name CA" index = 35 rmsd = 0.807 "obj and name CA" index = 36 rmsd = 0.649 "obj and name CA" index = 37 rmsd = 0.617 "obj and name CA" index = 38 rmsd = 0.569 "obj and name CA" index = 39 rmsd = 0.470 "obj and name CA" index = 40 rmsd = 0.466 "obj and name CA" index = 41 rmsd = 0.433 "obj and name CA" index = 42 rmsd = 0.355 "obj and name CA" index = 43 rmsd = 0.477 "obj and name CA" index = 44 rmsd = 0.554 "obj and name CA" index = 45 rmsd = 0.444 "obj and name CA" index = 46 rmsd = 0.424 "obj and name CA" index = 47 rmsd = 0.610 "obj and name CA" index = 48 rmsd = 0.646 "obj and name CA" index = 49 rmsd = 0.529 "obj and name CA" index = 50 rmsd = 0.635 "obj and name CA" index = 51 rmsd = 0.802 "obj and name CA" index = 52 rmsd = 0.818 "obj and name CA" index = 53 rmsd = 0.811 "obj and name CA" index = 54 rmsd = 0.993 "obj and name CA" index = 55 rmsd = 0.896 "obj and name CA" index = 56 rmsd = 1.020 "obj and name CA" index = 57 rmsd = 1.053 "obj and name CA" index = 58 rmsd = 0.829 "obj and name CA" index = 59 rmsd = 0.746 "obj and name CA" index = 60 rmsd = 0.873 "obj and name CA" index = 61 rmsd = 0.815 "obj and name CA" index = 62 rmsd = 0.650 "obj and name CA" index = 63 rmsd = 0.726 "obj and name CA" index = 64 rmsd = 0.830 "obj and name CA" index = 65 rmsd = 0.703 "obj and name CA" index = 66 rmsd = 0.625 "obj and name CA" index = 67 rmsd = 0.800 "obj and name CA" index = 68 rmsd = 0.820 "obj and name CA" index = 69 rmsd = 0.668 "obj and name CA" index = 70 rmsd = 0.696 "obj and name CA" index = 71 rmsd = 0.843 "obj and name CA" index = 72 rmsd = 0.813 "obj and name CA" index = 73 rmsd = 0.707 "obj and name CA" index = 74 rmsd = 0.686 "obj and name CA" index = 75 rmsd = 0.828 "obj and name CA" index = 76 rmsd = 0.962 "obj and name CA" index = 77 rmsd = 0.907 "obj and name CA" index = 78 rmsd = 0.736 "obj and name CA" index = 79 rmsd = 0.836 "obj and name CA" index = 80 rmsd = 0.972 "obj and name CA" index = 81 rmsd = 0.862 "obj and name CA" index = 82 rmsd = 0.778 "obj and name CA" index = 83 rmsd = 0.940 "obj and name CA" index = 84 rmsd = 0.997 "obj and name CA" index = 85 rmsd = 0.892 "obj and name CA" index = 86 rmsd = 0.946 "obj and name CA" index = 87 rmsd = 1.103 "obj and name CA" index = 88 rmsd = 1.108 "obj and name CA" index = 89 rmsd = 1.042 "obj and name CA" index = 90 rmsd = 1.132 "obj and name CA" index = 91 rmsd = 1.283 "obj and name CA" index = 92 rmsd = 1.264 "obj and name CA" index = 93 rmsd = 1.500 "obj and name CA" index = 94 rmsd = 2.670 "obj and name CA" index = 95 rmsd = 3.783 "obj and name CA" index = 96 rmsd = 4.943 "obj and name CA" index = 97 rmsd = 6.961 "obj and name CA" index = 98 rmsd = 8.392 "obj and name CA" index = 99 rmsd = 10.350 PyMOL>cartoon putty, yesfit_ALL and name CA PyMOL>show cartoon, yesfit_ALL and name CA PyMOL>color red, ss h Executive: Colored 228 atoms. PyMOL>color cyan,ss s PyMOL>color gray,ss ""+l Executive: Colored 2993 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: 1.61 sec. = 2238.7 frames/hour (5.79 sec. accum.). PyMOL>png sausage.png ScenePNG: wrote 600x600 pixel image to file "sausage.png". PyMOL>quit