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 11 atoms. PyMOL>color cyan,ss s Executive: Colored 11 atoms. PyMOL>color gray,ss ""+l Executive: Colored 1158 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: 0.91 sec. = 3977.6 frames/hour (0.91 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: 3.06 sec. = 1174.6 frames/hour (3.97 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, 9.4132852554321289, 4.9170575141906738, 7.8488106727600098, 10.724580764770508, 7.9377059936523438, 9.1530818939208984, 5.4799904823303223, 10.119659423828125, 9.5130405426025391, 6.0827922821044922, 6.2604570388793945, 4.3370189666748047, 8.9537229537963867, 8.6748313903808594, 10.319679260253906, 11.113731384277344, 7.4476127624511719, 8.2649192810058594, 8.0059242248535156] -> 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 = 3.525 "obj and name CA" index = 2 rmsd = 3.403 "obj and name CA" index = 3 rmsd = 2.831 "obj and name CA" index = 4 rmsd = 3.297 "obj and name CA" index = 5 rmsd = 3.478 "obj and name CA" index = 6 rmsd = 4.335 "obj and name CA" index = 7 rmsd = 4.658 "obj and name CA" index = 8 rmsd = 4.724 "obj and name CA" index = 9 rmsd = 4.297 "obj and name CA" index = 10 rmsd = 3.892 "obj and name CA" index = 11 rmsd = 3.832 "obj and name CA" index = 12 rmsd = 3.645 "obj and name CA" index = 13 rmsd = 4.553 "obj and name CA" index = 14 rmsd = 4.739 "obj and name CA" index = 15 rmsd = 4.165 "obj and name CA" index = 16 rmsd = 4.342 "obj and name CA" index = 17 rmsd = 3.286 "obj and name CA" index = 18 rmsd = 2.430 "obj and name CA" index = 19 rmsd = 1.758 "obj and name CA" index = 20 rmsd = 1.129 "obj and name CA" index = 21 rmsd = 1.797 "obj and name CA" index = 22 rmsd = 2.203 "obj and name CA" index = 23 rmsd = 1.857 "obj and name CA" index = 24 rmsd = 2.379 "obj and name CA" index = 25 rmsd = 2.917 "obj and name CA" index = 26 rmsd = 3.113 "obj and name CA" index = 27 rmsd = 3.429 "obj and name CA" index = 28 rmsd = 4.000 "obj and name CA" index = 29 rmsd = 3.871 "obj and name CA" index = 30 rmsd = 4.709 "obj and name CA" index = 31 rmsd = 4.486 "obj and name CA" index = 32 rmsd = 3.396 "obj and name CA" index = 33 rmsd = 3.554 "obj and name CA" index = 34 rmsd = 4.169 "obj and name CA" index = 35 rmsd = 3.624 "obj and name CA" index = 36 rmsd = 3.429 "obj and name CA" index = 37 rmsd = 2.707 "obj and name CA" index = 38 rmsd = 2.688 "obj and name CA" index = 39 rmsd = 2.109 "obj and name CA" index = 40 rmsd = 2.795 "obj and name CA" index = 41 rmsd = 3.471 "obj and name CA" index = 42 rmsd = 3.043 "obj and name CA" index = 43 rmsd = 3.085 "obj and name CA" index = 44 rmsd = 2.486 "obj and name CA" index = 45 rmsd = 2.981 "obj and name CA" index = 46 rmsd = 2.878 "obj and name CA" index = 47 rmsd = 2.820 "obj and name CA" index = 48 rmsd = 2.303 "obj and name CA" index = 49 rmsd = 1.707 "obj and name CA" index = 50 rmsd = 2.320 "obj and name CA" index = 51 rmsd = 2.714 "obj and name CA" index = 52 rmsd = 1.992 "obj and name CA" index = 53 rmsd = 2.146 "obj and name CA" index = 54 rmsd = 1.771 "obj and name CA" index = 55 rmsd = 2.707 "obj and name CA" index = 56 rmsd = 3.171 "obj and name CA" index = 57 rmsd = 3.218 "obj and name CA" index = 58 rmsd = 2.506 "obj and name CA" index = 59 rmsd = 2.643 "obj and name CA" index = 60 rmsd = 2.290 "obj and name CA" index = 61 rmsd = 3.174 "obj and name CA" index = 62 rmsd = 3.491 "obj and name CA" index = 63 rmsd = 4.291 "obj and name CA" index = 64 rmsd = 5.217 "obj and name CA" index = 65 rmsd = 4.649 "obj and name CA" index = 66 rmsd = 4.668 "obj and name CA" index = 67 rmsd = 5.001 "obj and name CA" index = 68 rmsd = 5.736 "obj and name CA" index = 69 rmsd = 6.922 "obj and name CA" index = 70 rmsd = 6.506 "obj and name CA" index = 71 rmsd = 7.307 "obj and name CA" index = 72 rmsd = 7.637 "obj and name CA" index = 73 rmsd = 8.759 "obj and name CA" index = 74 rmsd = 9.919 "obj and name CA" index = 75 rmsd = 12.045 "obj and name CA" index = 76 rmsd = 14.546 "obj and name CA" index = 77 rmsd = 16.308 "obj and name CA" index = 78 rmsd = 18.925 PyMOL>cartoon putty, yesfit_ALL and name CA PyMOL>show cartoon, yesfit_ALL and name CA PyMOL>color red, ss h Executive: Colored 33 atoms. PyMOL>color cyan,ss s Executive: Colored 33 atoms. PyMOL>color gray,ss ""+l Executive: Colored 2366 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: 1.04 sec. = 3454.9 frames/hour (5.01 sec. accum.). PyMOL>png sausage.png ScenePNG: wrote 600x600 pixel image to file "sausage.png". PyMOL>quit