| 4925 | | > select clear |
| 4926 | | |
| 4927 | | [Repeated 1 time(s)] |
| 4928 | | |
| 4929 | | > ui tool show "Ramachandran Plot" |
| 4930 | | |
| 4931 | | > isolde pepflip sel |
| 4932 | | |
| 4933 | | Flipping the peptide bond for 1 residues |
| 4934 | | |
| 4935 | | > isolde pepflip sel |
| 4936 | | |
| 4937 | | Flipping the peptide bond for 1 residues |
| 4938 | | |
| 4939 | | > select clear |
| 4940 | | |
| 4941 | | > isolde pepflip sel |
| 4942 | | |
| 4943 | | Flipping the peptide bond for 1 residues |
| 4944 | | |
| 4945 | | > select clear |
| 4946 | | |
| 4947 | | > isolde pepflip sel |
| 4948 | | |
| 4949 | | Flipping the peptide bond for 1 residues |
| 4950 | | |
| 4951 | | > isolde pepflip sel |
| 4952 | | |
| 4953 | | Flipping the peptide bond for 1 residues |
| 4954 | | |
| 4955 | | > select clear |
| 4956 | | |
| 4957 | | > isolde pepflip sel |
| 4958 | | |
| 4959 | | Flipping the peptide bond for 1 residues |
| 4960 | | |
| 4961 | | > select clear |
| 4962 | | |
| 4963 | | > ui tool show "Ramachandran Plot" |
| 4964 | | |
| 4965 | | > isolde pepflip sel |
| 4966 | | |
| 4967 | | Flipping the peptide bond for 1 residues |
| 4968 | | |
| 4969 | | > select clear |
| 4970 | | |
| 4971 | | > isolde pepflip sel |
| 4972 | | |
| 4973 | | Flipping the peptide bond for 1 residues |
| 4974 | | |
| 4975 | | > isolde pepflip sel |
| 4976 | | |
| 4977 | | Flipping the peptide bond for 1 residues |
| 4978 | | |
| 4979 | | > select clear |
| 4980 | | |
| 4981 | | [Repeated 4 time(s)] |
| 4982 | | |
| 4983 | | > ui tool show "Ramachandran Plot" |
| 4984 | | |
| 4985 | | > isolde pepflip sel |
| 4986 | | |
| 4987 | | Flipping the peptide bond for 1 residues |
| 4988 | | |
| 4989 | | > select clear |
| 4990 | | |
| 4991 | | > isolde pepflip sel |
| 4992 | | |
| 4993 | | Flipping the peptide bond for 1 residues |
| 4994 | | |
| 4995 | | > ui tool show "Ramachandran Plot" |
| 4996 | | |
| 4997 | | > isolde pepflip sel |
| 4998 | | |
| 4999 | | Flipping the peptide bond for 1 residues |
| 5000 | | |
| 5001 | | > isolde pepflip sel |
| 5002 | | |
| 5003 | | Flipping the peptide bond for 1 residues |
| 5004 | | |
| 5005 | | > isolde pepflip sel |
| 5006 | | |
| 5007 | | Flipping the peptide bond for 1 residues |
| 5008 | | |
| 5009 | | > ui tool show "Ramachandran Plot" |
| 5010 | | |
| 5011 | | > isolde pepflip sel |
| 5012 | | |
| 5013 | | Flipping the peptide bond for 1 residues |
| 5014 | | |
| 5015 | | > isolde pepflip sel |
| 5016 | | |
| 5017 | | Flipping the peptide bond for 1 residues |
| 5018 | | |
| 5019 | | > select clear |
| 5020 | | |
| 5021 | | [Repeated 1 time(s)]Unable to flip peptide bond after 50 rounds. Giving up. |
| 5022 | | |
| 5023 | | > ui tool show "Ramachandran Plot" |
| 5024 | | |
| 5025 | | Traceback (most recent call last): |
| 5026 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 5027 | | packages/matplotlib/cbook/__init__.py", line 287, in process |
| 5028 | | func(*args, **kwargs) |
| 5029 | | File "/srv/home/leonardo/.local/share/ChimeraX/1.4/site- |
| 5030 | | packages/chimerax/isolde/validation/ramaplot/ramaplot.py", line 292, in |
| 5031 | | on_resize |
| 5032 | | c.draw() |
| 5033 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 5034 | | packages/matplotlib/backends/backend_agg.py", line 436, in draw |
| 5035 | | self.figure.draw(self.renderer) |
| 5036 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 5037 | | packages/matplotlib/artist.py", line 73, in draw_wrapper |
| 5038 | | result = draw(artist, renderer, *args, **kwargs) |
| 5039 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 5040 | | packages/matplotlib/artist.py", line 50, in draw_wrapper |
| 5041 | | return draw(artist, renderer) |
| 5042 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 5043 | | packages/matplotlib/figure.py", line 2796, in draw |
| 5044 | | artists = self._get_draw_artists(renderer) |
| 5045 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 5046 | | packages/matplotlib/figure.py", line 238, in _get_draw_artists |
| 5047 | | ax.apply_aspect() |
| 5048 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 5049 | | packages/matplotlib/axes/_base.py", line 1890, in apply_aspect |
| 5050 | | pb1 = pb.shrunk_to_aspect(box_aspect, pb, fig_aspect) |
| 5051 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 5052 | | packages/matplotlib/transforms.py", line 558, in shrunk_to_aspect |
| 5053 | | raise ValueError("'box_aspect' and 'fig_aspect' must be positive") |
| 5054 | | ValueError: 'box_aspect' and 'fig_aspect' must be positive |
| 5055 | | |
| 5056 | | > isolde pepflip sel |
| 5057 | | |
| 5058 | | Flipping the peptide bond for 1 residues |
| 5059 | | |
| 5060 | | > isolde pepflip sel |
| 5061 | | |
| 5062 | | Flipping the peptide bond for 1 residues |
| 5063 | | |
| 5064 | | > isolde pepflip sel |
| 5065 | | |
| 5066 | | Flipping the peptide bond for 1 residues |
| 5067 | | |
| 5068 | | > select clear |
| 5069 | | |
| 5070 | | > ui tool show "Ramachandran Plot" |
| 5071 | | |
| 5072 | | > isolde pepflip sel |
| 5073 | | |
| 5074 | | Flipping the peptide bond for 1 residues |
| 5075 | | |
| 5076 | | > select clear |
| 5077 | | |
| 5078 | | [Repeated 1 time(s)] |
| 5079 | | |
| 5080 | | > ui tool show "Ramachandran Plot" |
| 5081 | | |
| 5082 | | > view #1/u:37 |
| 5083 | | |
| 5084 | | > ui tool show "Ramachandran Plot" |
| 5085 | | |
| 5086 | | > isolde pepflip sel |
| 5087 | | |
| 5088 | | Flipping the peptide bond for 1 residues |
| 5089 | | |
| 5090 | | > select clear |
| 5091 | | |
| 5092 | | > ui tool show "Ramachandran Plot" |
| 5093 | | |
| 5094 | | > isolde pepflip sel |
| 5095 | | |
| 5096 | | Flipping the peptide bond for 1 residues |
| 5097 | | |
| 5098 | | > isolde pepflip sel |
| 5099 | | |
| 5100 | | Flipping the peptide bond for 1 residues |
| 5101 | | |
| 5102 | | > ui tool show "Ramachandran Plot" |
| 5103 | | |
| 5104 | | > select clear |
| 5105 | | |
| 5106 | | > ui tool show "Ramachandran Plot" |
| 5107 | | |
| 5108 | | [Repeated 1 time(s)] |
| 5109 | | |
| 5110 | | > isolde pepflip sel |
| 5111 | | |
| 5112 | | Flipping the peptide bond for 1 residues |
| 5113 | | |
| 5114 | | > select clear |
| 5115 | | |
| 5116 | | > ui tool show "Ramachandran Plot" |
| 5117 | | |
| 5118 | | > ui tool show ISOLDE |
| 5119 | | |
| 5120 | | > ui tool show "Ramachandran Plot" |
| 5121 | | |
| 5122 | | > isolde pepflip sel |
| 5123 | | |
| 5124 | | Flipping the peptide bond for 1 residues |
| 5125 | | |
| 5126 | | > isolde pepflip sel |
| 5127 | | |
| 5128 | | Flipping the peptide bond for 1 residues |
| 5129 | | |
| 5130 | | > select clear |
| 5131 | | |
| 5132 | | > ui tool show "Ramachandran Plot" |
| 5133 | | |
| 5134 | | [Repeated 2 time(s)] |
| 5135 | | |
| 5136 | | > isolde pepflip sel |
| 5137 | | |
| 5138 | | Flipping the peptide bond for 1 residues |
| 5139 | | |
| 5140 | | > ui tool show "Ramachandran Plot" |
| 5141 | | |
| 5142 | | > select clear |
| 5143 | | |
| 5144 | | > ui tool show "Ramachandran Plot" |
| 5145 | | |
| 5146 | | > isolde pepflip sel |
| 5147 | | |
| 5148 | | Flipping the peptide bond for 1 residues |
| 5149 | | |
| 5150 | | > select clear |
| 5151 | | |
| 5152 | | > isolde pepflip sel |
| 5153 | | |
| 5154 | | Flipping the peptide bond for 1 residues |
| 5155 | | |
| 5156 | | > isolde pepflip sel |
| 5157 | | |
| 5158 | | Flipping the peptide bond for 1 residues |
| 5159 | | |
| 5160 | | > ui tool show "Ramachandran Plot" |
| 5161 | | |
| 5162 | | > isolde pepflip sel |
| 5163 | | |
| 5164 | | Flipping the peptide bond for 1 residues |
| 5165 | | |
| 5166 | | > isolde pepflip sel |
| 5167 | | |
| 5168 | | Flipping the peptide bond for 1 residues |
| 5169 | | |
| 5170 | | > select clear |
| 5171 | | |
| 5172 | | [Repeated 1 time(s)] |
| 5173 | | |
| 5174 | | > isolde pepflip sel |
| 5175 | | |
| 5176 | | Flipping the peptide bond for 1 residues |
| 5177 | | |
| 5178 | | > isolde pepflip sel |
| 5179 | | |
| 5180 | | Flipping the peptide bond for 1 residues |
| 5181 | | |
| 5182 | | > select clear |
| 5183 | | |
| 5184 | | > isolde pepflip sel |
| 5185 | | |
| 5186 | | Flipping the peptide bond for 1 residues |
| 5187 | | |
| 5188 | | > isolde pepflip sel |
| 5189 | | |
| 5190 | | Flipping the peptide bond for 1 residues |
| 5191 | | |
| 5192 | | > ui tool show "Ramachandran Plot" |
| 5193 | | |
| 5194 | | > isolde pepflip sel |
| 5195 | | |
| 5196 | | Flipping the peptide bond for 1 residues |
| 5197 | | |
| 5198 | | > select clear |
| 5199 | | |
| 5200 | | [Repeated 1 time(s)] |
| 5201 | | |
| 5202 | | > ui tool show "Ramachandran Plot" |
| 5203 | | |
| 5204 | | [Repeated 1 time(s)] |
| 5205 | | |
| 5206 | | > select clear |
| 5207 | | |
| 5208 | | [Repeated 3 time(s)] |
| 5209 | | |
| 5210 | | > ui tool show "Ramachandran Plot" |
| 5211 | | |
| 5212 | | [Repeated 2 time(s)] |
| 5213 | | |
| 5214 | | > isolde pepflip sel |
| 5215 | | |
| 5216 | | Flipping the peptide bond for 1 residues |
| 5217 | | |
| 5218 | | > isolde pepflip sel |
| 5219 | | |
| 5220 | | Flipping the peptide bond for 1 residues |
| 5221 | | |
| 5222 | | > isolde pepflip sel |
| 5223 | | |
| 5224 | | Flipping the peptide bond for 1 residues |
| 5225 | | |
| 5226 | | > isolde pepflip sel |
| 5227 | | |
| 5228 | | Flipping the peptide bond for 1 residues |
| 5229 | | |
| 5230 | | > select clear |
| 5231 | | |
| 5232 | | Unable to flip peptide bond after 50 rounds. Giving up. |
| 5233 | | |
| 5234 | | > ui tool show "Ramachandran Plot" |
| 5235 | | |
| 5236 | | > select clear |
| 5237 | | |
| 5238 | | > ui tool show "Ramachandran Plot" |
| 5239 | | |
| 5240 | | > isolde pepflip sel |
| 5241 | | |
| 5242 | | Flipping the peptide bond for 1 residues |
| 5243 | | |
| 5244 | | > isolde pepflip sel |
| 5245 | | |
| 5246 | | Flipping the peptide bond for 1 residues |
| 5247 | | |
| 5248 | | > select clear |
| 5249 | | |
| 5250 | | [Repeated 1 time(s)] |
| 5251 | | |
| 5252 | | > ui tool show "Ramachandran Plot" |
| 5253 | | |
| 5254 | | > hide #!1.2 models |
| 5255 | | |
| 5256 | | > show #!1.2 models |
| 5257 | | |
| 5258 | | > ui tool show "Ramachandran Plot" |
| 5259 | | |
| 5260 | | > select clear |
| 5261 | | |
| 5262 | | [Repeated 3 time(s)] |
| 5263 | | |
| 5264 | | > ui tool show "Ramachandran Plot" |
| 5265 | | |
| 5266 | | > isolde pepflip sel |
| 5267 | | |
| 5268 | | Flipping the peptide bond for 1 residues |
| 5269 | | |
| 5270 | | > isolde pepflip sel |
| 5271 | | |
| 5272 | | Flipping the peptide bond for 1 residues |
| 5273 | | |
| 5274 | | > isolde pepflip sel |
| 5275 | | |
| 5276 | | Flipping the peptide bond for 1 residues |
| 5277 | | |
| 5278 | | > isolde pepflip sel |
| 5279 | | |
| 5280 | | Flipping the peptide bond for 1 residues |
| 5281 | | |
| 5282 | | > isolde pepflip sel |
| 5283 | | |
| 5284 | | Flipping the peptide bond for 1 residues |
| 5285 | | |
| 5286 | | > isolde pepflip sel |
| 5287 | | |
| 5288 | | Flipping the peptide bond for 1 residues |
| 5289 | | |
| 5290 | | > isolde pepflip sel |
| 5291 | | |
| 5292 | | Flipping the peptide bond for 1 residues |
| 5293 | | |
| 5294 | | > isolde pepflip sel |
| 5295 | | |
| 5296 | | Flipping the peptide bond for 1 residues |
| 5297 | | |
| 5298 | | > select clear |
| 5299 | | |
| 5300 | | > isolde pepflip sel |
| 5301 | | |
| 5302 | | Flipping the peptide bond for 1 residues |
| 5303 | | |
| 5304 | | > isolde pepflip sel |
| 5305 | | |
| 5306 | | Flipping the peptide bond for 1 residues |
| 5307 | | |
| 5308 | | > isolde pepflip sel |
| 5309 | | |
| 5310 | | Flipping the peptide bond for 1 residues |
| 5311 | | |
| 5312 | | > ui tool show "Ramachandran Plot" |
| 5313 | | |
| 5314 | | > select clear |
| 5315 | | |
| 5316 | | > isolde pepflip sel |
| 5317 | | |
| 5318 | | Flipping the peptide bond for 1 residues |
| 5319 | | |
| 5320 | | > isolde pepflip sel |
| 5321 | | |
| 5322 | | Flipping the peptide bond for 1 residues |
| 5323 | | |
| 5324 | | > select clear |
| 5325 | | |
| 5326 | | [Repeated 1 time(s)] |
| 5327 | | |
| 5328 | | > isolde pepflip sel |
| 5329 | | |
| 5330 | | Flipping the peptide bond for 1 residues |
| 5331 | | |
| 5332 | | > isolde pepflip sel |
| 5333 | | |
| 5334 | | Flipping the peptide bond for 1 residues |
| 5335 | | |
| 5336 | | > select clear |
| 5337 | | |
| 5338 | | > isolde pepflip sel |
| 5339 | | |
| 5340 | | Flipping the peptide bond for 1 residues |
| 5341 | | |
| 5342 | | > isolde pepflip sel |
| 5343 | | |
| 5344 | | Flipping the peptide bond for 1 residues |
| 5345 | | |
| 5346 | | > isolde pepflip sel |
| 5347 | | |
| 5348 | | Flipping the peptide bond for 1 residues |
| 5349 | | |
| 5350 | | > isolde pepflip sel |
| 5351 | | |
| 5352 | | Flipping the peptide bond for 1 residues |
| 5353 | | |
| 5354 | | > select clear |
| 5355 | | |
| 5356 | | > isolde pepflip sel |
| 5357 | | |
| 5358 | | Flipping the peptide bond for 1 residues |
| 5359 | | |
| 5360 | | > select clear |
| 5361 | | |
| 5362 | | > ui tool show "Ramachandran Plot" |
| 5363 | | |
| 5364 | | > isolde pepflip sel |
| 5365 | | |
| 5366 | | Flipping the peptide bond for 1 residues |
| 5367 | | |
| 5368 | | > select clear |
| 5369 | | |
| 5370 | | [Repeated 1 time(s)] |
| 5371 | | |
| 5372 | | > isolde pepflip sel |
| 5373 | | |
| 5374 | | Flipping the peptide bond for 1 residues |
| 5375 | | |
| 5376 | | > isolde pepflip sel |
| 5377 | | |
| 5378 | | Flipping the peptide bond for 1 residues |
| 5379 | | |
| 5380 | | > isolde pepflip sel |
| 5381 | | |
| 5382 | | Flipping the peptide bond for 1 residues |
| 5383 | | |
| 5384 | | > isolde pepflip sel |
| 5385 | | |
| 5386 | | Flipping the peptide bond for 1 residues |
| 5387 | | |
| 5388 | | > isolde pepflip sel |
| 5389 | | |
| 5390 | | Flipping the peptide bond for 1 residues |
| 5391 | | |
| 5392 | | > select clear |
| 5393 | | |
| 5394 | | > ui tool show "Ramachandran Plot" |
| 5395 | | |
| 5396 | | > isolde pepflip sel |
| 5397 | | |
| 5398 | | Flipping the peptide bond for 1 residues |
| 5399 | | |
| 5400 | | > select clear |
| 5401 | | |
| 5402 | | > ui tool show "Ramachandran Plot" |
| 5403 | | |
| 5404 | | > isolde pepflip sel |
| 5405 | | |
| 5406 | | Flipping the peptide bond for 1 residues |
| 5407 | | Unable to flip peptide bond after 50 rounds. Giving up. |
| 5408 | | |
| 5409 | | > select clear |
| 5410 | | |
| 5411 | | > isolde pepflip sel |
| 5412 | | |
| 5413 | | Flipping the peptide bond for 1 residues |
| 5414 | | |
| 5415 | | > isolde pepflip sel |
| 5416 | | |
| 5417 | | Flipping the peptide bond for 1 residues |
| 5418 | | |
| 5419 | | > ui tool show "Ramachandran Plot" |
| 5420 | | |
| 5421 | | > isolde sim pause |
| 5422 | | |
| 5423 | | > ui tool show "Ramachandran Plot" |
| 5424 | | |
| 5425 | | > isolde sim resume |
| 5426 | | |
| 5427 | | > ui tool show "Ramachandran Plot" |
| 5428 | | |
| 5429 | | > isolde sim pause |
| 5430 | | |
| 5431 | | > isolde sim stop |
| 5432 | | |
| 5433 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5434 | | chains... |
| 5435 | | ISOLDE: Corrected atom nomenclature of 3 residues in model #1.2 to IUPAC-IUB |
| 5436 | | standards. |
| 5437 | | ISOLDE: stopped sim |
| 5438 | | |
| 5439 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 5440 | | > mut8-no-C-ter/12-KSRP-no-C-ter-Step1-twelventhSubsteps- |
| 5441 | | > simulatedAnnealingIn-u37-o55-region.csx.cxs |
| 5442 | | |
| 5443 | | Taking snapshot of stepper: 5opt-concatenated-Map-Mut8-40S-noCter.pdb |
| 5444 | | |
| 5445 | | ——— End of log from Fri Mar 17 17:24:40 2023 ——— |
| 5446 | | |
| 5447 | | opened ChimeraX session |
| 5448 | | |
| 5449 | | > isolde start |
| 5450 | | |
| 5451 | | > set selectionWidth 4 |
| 5452 | | |
| 5453 | | > select clear |
| 5454 | | |
| 5455 | | > view #1/o:55 |
| 5456 | | |
| 5457 | | > select #1/o:55 |
| 5458 | | |
| 5459 | | 22 atoms, 21 bonds, 1 residue, 1 model selected |
| 5460 | | |
| 5461 | | > isolde sim start sel |
| 5462 | | |
| 5463 | | Launching using CUDA failed with the below message. Falling back to using |
| 5464 | | OpenCL. |
| 5465 | | |
| 5466 | | Error compiling program: nvrtc: error: invalid value for --gpu-architecture |
| 5467 | | (-arch) |
| 5468 | | |
| 5469 | | |
| 5470 | | ISOLDE: started sim |
| 5471 | | |
| 5472 | | > isolde sim stop discardTo start |
| 5473 | | |
| 5474 | | reverting to start |
| 5475 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5476 | | chains... |
| 5477 | | ISOLDE: stopped sim |
| 5478 | | |
| 5479 | | > select #1/o:55 |
| 5480 | | |
| 5481 | | 22 atoms, 21 bonds, 1 residue, 1 model selected |
| 5482 | | |
| 5483 | | > isolde sim start sel |
| 5484 | | |
| 5485 | | ISOLDE: started sim |
| 5486 | | |
| 5487 | | > ui tool show "Ramachandran Plot" |
| 5488 | | |
| 5489 | | > select clear |
| 5490 | | |
| 5491 | | > isolde sim stop |
| 5492 | | |
| 5493 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5494 | | chains... |
| 5495 | | ISOLDE: stopped sim |
| 5496 | | |
| 5497 | | > view #1/u:49 |
| 5498 | | |
| 5499 | | > select #1/u:49 |
| 5500 | | |
| 5501 | | 10 atoms, 9 bonds, 1 residue, 1 model selected |
| 5502 | | |
| 5503 | | > isolde sim start sel |
| 5504 | | |
| 5505 | | ISOLDE: started sim |
| 5506 | | |
| 5507 | | > isolde sim stop discardTo start |
| 5508 | | |
| 5509 | | reverting to start |
| 5510 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5511 | | chains... |
| 5512 | | ISOLDE: stopped sim |
| 5513 | | |
| 5514 | | > select #1/u:49 |
| 5515 | | |
| 5516 | | 10 atoms, 9 bonds, 1 residue, 1 model selected |
| 5517 | | |
| 5518 | | > isolde sim start sel |
| 5519 | | |
| 5520 | | ISOLDE: started sim |
| 5521 | | |
| 5522 | | > ui tool show "Ramachandran Plot" |
| 5523 | | |
| 5524 | | > select clear |
| 5525 | | |
| 5526 | | > isolde pepflip sel |
| 5527 | | |
| 5528 | | Flipping the peptide bond for 1 residues |
| 5529 | | |
| 5530 | | > select clear |
| 5531 | | |
| 5532 | | > ui tool show "Ramachandran Plot" |
| 5533 | | |
| 5534 | | > isolde sim pause |
| 5535 | | |
| 5536 | | > isolde sim resume |
| 5537 | | |
| 5538 | | > isolde sim pause |
| 5539 | | |
| 5540 | | 3 models selected |
| 5541 | | [Repeated 1 time(s)] |
| 5542 | | |
| 5543 | | > view #1 |
| 5544 | | |
| 5545 | | > view #1/u:49 |
| 5546 | | |
| 5547 | | > view #1/P |
| 5548 | | |
| 5549 | | > ui tool show "Ramachandran Plot" |
| 5550 | | |
| 5551 | | > view #1/u:49 |
| 5552 | | |
| 5553 | | > isolde sim resume |
| 5554 | | |
| 5555 | | > ui tool show "Ramachandran Plot" |
| 5556 | | |
| 5557 | | [Repeated 2 time(s)] |
| 5558 | | |
| 5559 | | > isolde sim stop |
| 5560 | | |
| 5561 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5562 | | chains... |
| 5563 | | ISOLDE: stopped sim |
| 5564 | | |
| 5565 | | > view #1/u:63 |
| 5566 | | |
| 5567 | | > select #1/u:63 |
| 5568 | | |
| 5569 | | 15 atoms, 14 bonds, 1 residue, 1 model selected |
| 5570 | | |
| 5571 | | > isolde sim start sel |
| 5572 | | |
| 5573 | | ISOLDE: started sim |
| 5574 | | |
| 5575 | | > ui tool show "Ramachandran Plot" |
| 5576 | | |
| 5577 | | > isolde pepflip sel |
| 5578 | | |
| 5579 | | Flipping the peptide bond for 1 residues |
| 5580 | | |
| 5581 | | > isolde pepflip sel |
| 5582 | | |
| 5583 | | Flipping the peptide bond for 1 residues |
| 5584 | | |
| 5585 | | > isolde pepflip sel |
| 5586 | | |
| 5587 | | Flipping the peptide bond for 1 residues |
| 5588 | | |
| 5589 | | > ui tool show "Ramachandran Plot" |
| 5590 | | |
| 5591 | | [Repeated 1 time(s)] |
| 5592 | | |
| 5593 | | > select clear |
| 5594 | | |
| 5595 | | [Repeated 1 time(s)] |
| 5596 | | |
| 5597 | | > isolde pepflip sel |
| 5598 | | |
| 5599 | | Flipping the peptide bond for 1 residues |
| 5600 | | |
| 5601 | | > isolde pepflip sel |
| 5602 | | |
| 5603 | | Flipping the peptide bond for 1 residues |
| 5604 | | |
| 5605 | | > isolde pepflip sel |
| 5606 | | |
| 5607 | | Flipping the peptide bond for 1 residues |
| 5608 | | |
| 5609 | | > ui tool show "Ramachandran Plot" |
| 5610 | | |
| 5611 | | > select clear |
| 5612 | | |
| 5613 | | > ui tool show "Ramachandran Plot" |
| 5614 | | |
| 5615 | | > select clear |
| 5616 | | |
| 5617 | | > isolde sim stop |
| 5618 | | |
| 5619 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5620 | | chains... |
| 5621 | | ISOLDE: stopped sim |
| 5622 | | |
| 5623 | | > view #1/u:49 |
| 5624 | | |
| 5625 | | > select #1/u:49 |
| 5626 | | |
| 5627 | | 10 atoms, 9 bonds, 1 residue, 1 model selected |
| 5628 | | |
| 5629 | | > isolde sim start sel |
| 5630 | | |
| 5631 | | ISOLDE: started sim |
| 5632 | | |
| 5633 | | > ui tool show "Ramachandran Plot" |
| 5634 | | |
| 5635 | | > isolde sim stop |
| 5636 | | |
| 5637 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5638 | | chains... |
| 5639 | | ISOLDE: stopped sim |
| 5640 | | |
| 5641 | | > view #1/u:43 |
| 5642 | | |
| 5643 | | > select #1/u:43 |
| 5644 | | |
| 5645 | | 21 atoms, 21 bonds, 1 residue, 1 model selected |
| 5646 | | |
| 5647 | | > isolde sim start sel |
| 5648 | | |
| 5649 | | ISOLDE: started sim |
| 5650 | | |
| 5651 | | > ui tool show "Ramachandran Plot" |
| 5652 | | |
| 5653 | | > select clear |
| 5654 | | |
| 5655 | | > isolde pepflip sel |
| 5656 | | |
| 5657 | | Flipping the peptide bond for 1 residues |
| 5658 | | |
| 5659 | | > select clear |
| 5660 | | |
| 5661 | | > ui tool show "Ramachandran Plot" |
| 5662 | | |
| 5663 | | > view #1/u:43 |
| 5664 | | |
| 5665 | | > ui tool show "Ramachandran Plot" |
| 5666 | | |
| 5667 | | > select clear |
| 5668 | | |
| 5669 | | > ui tool show "Ramachandran Plot" |
| 5670 | | |
| 5671 | | > select clear |
| 5672 | | |
| 5673 | | [Repeated 1 time(s)] |
| 5674 | | |
| 5675 | | > isolde pepflip sel |
| 5676 | | |
| 5677 | | Flipping the peptide bond for 1 residues |
| 5678 | | |
| 5679 | | > select clear |
| 5680 | | |
| 5681 | | > isolde pepflip sel |
| 5682 | | |
| 5683 | | Flipping the peptide bond for 1 residues |
| 5684 | | |
| 5685 | | > select clear |
| 5686 | | |
| 5687 | | [Repeated 1 time(s)] |
| 5688 | | |
| 5689 | | > isolde pepflip sel |
| 5690 | | |
| 5691 | | Flipping the peptide bond for 1 residues |
| 5692 | | |
| 5693 | | > select clear |
| 5694 | | |
| 5695 | | [Repeated 1 time(s)] |
| 5696 | | |
| 5697 | | > hide #!1.1 models |
| 5698 | | |
| 5699 | | > show #!1.1 models |
| 5700 | | |
| 5701 | | > hide #!1.2 models |
| 5702 | | |
| 5703 | | > show #!1.2 models |
| 5704 | | |
| 5705 | | > hide #!1.2 models |
| 5706 | | |
| 5707 | | > show #!1.2 models |
| 5708 | | |
| 5709 | | > hide #!1.2 models |
| 5710 | | |
| 5711 | | > show #!1.2 models |
| 5712 | | |
| 5713 | | > hide #!1.2 models |
| 5714 | | |
| 5715 | | > show #!1.2 models |
| 5716 | | |
| 5717 | | > ui tool show "Ramachandran Plot" |
| 5718 | | |
| 5719 | | > select clear |
| 5720 | | |
| 5721 | | > view #1/u:43 |
| 5722 | | |
| 5723 | | > isolde sim stop |
| 5724 | | |
| 5725 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5726 | | chains... |
| 5727 | | ISOLDE: Corrected atom nomenclature of 2 residues in model #1.2 to IUPAC-IUB |
| 5728 | | standards. |
| 5729 | | ISOLDE: stopped sim |
| 5730 | | |
| 5731 | | > isolde sim start sel |
| 5732 | | |
| 5733 | | ISOLDE: started sim |
| 5734 | | |
| 5735 | | > select clear |
| 5736 | | |
| 5737 | | [Repeated 1 time(s)] |
| 5738 | | |
| 5739 | | > isolde sim stop |
| 5740 | | |
| 5741 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5742 | | chains... |
| 5743 | | ISOLDE: stopped sim |
| 5744 | | |
| 5745 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 5746 | | > mut8-no-C-ter/13-KSRP-no-C-ter-Step1-thirtenthSubsteps.pdb |
| 5747 | | |
| 5748 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 5749 | | > mut8-no-C-ter/13-KSRP-no-C-ter-Step1-thirtenthSubsteps.cxs |
| 5750 | | |
| 5751 | | Taking snapshot of stepper: 5opt-concatenated-Map-Mut8-40S-noCter.pdb |
| 5752 | | |
| 5753 | | > view #1/u:42|u:55 |
| 5754 | | |
| 5755 | | Expected an objects specifier or a view name or a keyword |
| 5756 | | |
| 5757 | | > view #1/u:42|/u:55 |
| 5758 | | |
| 5759 | | > select #1/u:42|/u:55 |
| 5760 | | |
| 5761 | | 34 atoms, 32 bonds, 2 residues, 1 model selected |
| 5762 | | |
| 5763 | | > isolde sim start sel |
| 5764 | | |
| 5765 | | ISOLDE: started sim |
| 5766 | | |
| 5767 | | > isolde sim stop discardTo start |
| 5768 | | |
| 5769 | | reverting to start |
| 5770 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5771 | | chains... |
| 5772 | | ISOLDE: stopped sim |
| 5773 | | |
| 5774 | | > select #1/u:42|/u:55 |
| 5775 | | |
| 5776 | | 34 atoms, 32 bonds, 2 residues, 1 model selected |
| 5777 | | |
| 5778 | | > isolde sim start sel |
| 5779 | | |
| 5780 | | ISOLDE: started sim |
| 5781 | | |
| 5782 | | > ui tool show "Ramachandran Plot" |
| 5783 | | |
| 5784 | | > select clear |
| 5785 | | |
| 5786 | | [Repeated 2 time(s)] |
| 5787 | | |
| 5788 | | > isolde pepflip sel |
| 5789 | | |
| 5790 | | Flipping the peptide bond for 1 residues |
| 5791 | | |
| 5792 | | > isolde pepflip sel |
| 5793 | | |
| 5794 | | Flipping the peptide bond for 1 residues |
| 5795 | | |
| 5796 | | > select clear |
| 5797 | | |
| 5798 | | > ui tool show "Ramachandran Plot" |
| 5799 | | |
| 5800 | | Unable to flip peptide bond after 50 rounds. Giving up. |
| 5801 | | |
| 5802 | | > ui tool show "Ramachandran Plot" |
| 5803 | | |
| 5804 | | > isolde sim stop |
| 5805 | | |
| 5806 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5807 | | chains... |
| 5808 | | ISOLDE: stopped sim |
| 5809 | | |
| 5810 | | > view #1/u:43 |
| 5811 | | |
| 5812 | | > select #1/u:43 |
| 5813 | | |
| 5814 | | 21 atoms, 21 bonds, 1 residue, 1 model selected |
| 5815 | | |
| 5816 | | > isolde sim start sel |
| 5817 | | |
| 5818 | | ISOLDE: started sim |
| 5819 | | |
| 5820 | | > ui tool show "Ramachandran Plot" |
| 5821 | | |
| 5822 | | > select clear |
| 5823 | | |
| 5824 | | > isolde sim stop |
| 5825 | | |
| 5826 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5827 | | chains... |
| 5828 | | ISOLDE: stopped sim |
| 5829 | | |
| 5830 | | > view #1/u:63 |
| 5831 | | |
| 5832 | | > select #1/u:63 |
| 5833 | | |
| 5834 | | 15 atoms, 14 bonds, 1 residue, 1 model selected |
| 5835 | | |
| 5836 | | > select #1/u:63 |
| 5837 | | |
| 5838 | | 15 atoms, 14 bonds, 1 residue, 1 model selected |
| 5839 | | |
| 5840 | | > isolde sim start sel |
| 5841 | | |
| 5842 | | ISOLDE: started sim |
| 5843 | | |
| 5844 | | > ui tool show "Ramachandran Plot" |
| 5845 | | |
| 5846 | | > isolde sim stop |
| 5847 | | |
| 5848 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5849 | | chains... |
| 5850 | | ISOLDE: stopped sim |
| 5851 | | |
| 5852 | | > ui tool show "Ramachandran Plot" |
| 5853 | | |
| 5854 | | > select #1/u:49 |
| 5855 | | |
| 5856 | | 10 atoms, 9 bonds, 1 residue, 1 model selected |
| 5857 | | |
| 5858 | | > view #1/u:49 |
| 5859 | | |
| 5860 | | > select #1/u:49 |
| 5861 | | |
| 5862 | | 10 atoms, 9 bonds, 1 residue, 1 model selected |
| 5863 | | |
| 5864 | | > isolde sim start sel |
| 5865 | | |
| 5866 | | ISOLDE: started sim |
| 5867 | | |
| 5868 | | > ui tool show "Ramachandran Plot" |
| 5869 | | |
| 5870 | | [Repeated 1 time(s)] |
| 5871 | | |
| 5872 | | > isolde sim stop |
| 5873 | | |
| 5874 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5875 | | chains... |
| 5876 | | ISOLDE: stopped sim |
| 5877 | | |
| 5878 | | > view #1/o:55 |
| 5879 | | |
| 5880 | | > select #1/o:55 |
| 5881 | | |
| 5882 | | 22 atoms, 21 bonds, 1 residue, 1 model selected |
| 5883 | | |
| 5884 | | > isolde sim start sel |
| 5885 | | |
| 5886 | | ISOLDE: started sim |
| 5887 | | |
| 5888 | | > ui tool show "Ramachandran Plot" |
| 5889 | | |
| 5890 | | > isolde sim stop |
| 5891 | | |
| 5892 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5893 | | chains... |
| 5894 | | ISOLDE: stopped sim |
| 5895 | | |
| 5896 | | > view #1/u:12 |
| 5897 | | |
| 5898 | | > select #1/u:12 |
| 5899 | | |
| 5900 | | 17 atoms, 17 bonds, 1 residue, 1 model selected |
| 5901 | | |
| 5902 | | > isolde sim start sel |
| 5903 | | |
| 5904 | | ISOLDE: started sim |
| 5905 | | |
| 5906 | | > ui tool show "Ramachandran Plot" |
| 5907 | | |
| 5908 | | > select clear |
| 5909 | | |
| 5910 | | > isolde sim stop |
| 5911 | | |
| 5912 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5913 | | chains... |
| 5914 | | ISOLDE: stopped sim |
| 5915 | | |
| 5916 | | > view #1/u:28-42|/o:53-56|/u:43-47 |
| 5917 | | |
| 5918 | | > select #1/u:28-42|/o:53-56|/u:43-47 |
| 5919 | | |
| 5920 | | 400 atoms, 402 bonds, 24 residues, 1 model selected |
| 5921 | | |
| 5922 | | > isolde sim start sel |
| 5923 | | |
| 5924 | | ISOLDE: started sim |
| 5925 | | |
| 5926 | | > ui tool show "Ramachandran Plot" |
| 5927 | | |
| 5928 | | > isolde sim pause |
| 5929 | | |
| 5930 | | > ui tool show "Ramachandran Plot" |
| 5931 | | |
| 5932 | | [Repeated 2 time(s)] |
| 5933 | | |
| 5934 | | > isolde sim resume |
| 5935 | | |
| 5936 | | > isolde sim stop |
| 5937 | | |
| 5938 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5939 | | chains... |
| 5940 | | ISOLDE: stopped sim |
| 5941 | | |
| 5942 | | > select #1/u:35 |
| 5943 | | |
| 5944 | | 22 atoms, 21 bonds, 1 residue, 1 model selected |
| 5945 | | |
| 5946 | | > view #1/u:35 |
| 5947 | | |
| 5948 | | > select #1/u:35 |
| 5949 | | |
| 5950 | | 22 atoms, 21 bonds, 1 residue, 1 model selected |
| 5951 | | |
| 5952 | | > select #1/u:35 |
| 5953 | | |
| 5954 | | 22 atoms, 21 bonds, 1 residue, 1 model selected |
| 5955 | | |
| 5956 | | > isolde sim start sel |
| 5957 | | |
| 5958 | | ISOLDE: started sim |
| 5959 | | |
| 5960 | | > ui tool show "Ramachandran Plot" |
| 5961 | | |
| 5962 | | > isolde sim stop |
| 5963 | | |
| 5964 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5965 | | chains... |
| 5966 | | ISOLDE: stopped sim |
| 5967 | | |
| 5968 | | > view #1/u:25 |
| 5969 | | |
| 5970 | | > select #1/u:25 |
| 5971 | | |
| 5972 | | 24 atoms, 23 bonds, 1 residue, 1 model selected |
| 5973 | | |
| 5974 | | > isolde sim start sel |
| 5975 | | |
| 5976 | | ISOLDE: started sim |
| 5977 | | |
| 5978 | | > ui tool show "Ramachandran Plot" |
| 5979 | | |
| 5980 | | > select clear |
| 5981 | | |
| 5982 | | > isolde sim stop |
| 5983 | | |
| 5984 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 5985 | | chains... |
| 5986 | | ISOLDE: stopped sim |
| 5987 | | |
| 5988 | | > view #1/u:60-65|/u:8-12 |
| 5989 | | |
| 5990 | | > select #1/u:60-65|/u:8-12 |
| 5991 | | |
| 5992 | | 180 atoms, 180 bonds, 11 residues, 1 model selected |
| 5993 | | |
| 5994 | | > isolde sim start sel |
| 5995 | | |
| 5996 | | ISOLDE: started sim |
| 5997 | | |
| 5998 | | > ui tool show "Ramachandran Plot" |
| 5999 | | |
| 6000 | | > isolde sim stop |
| 6001 | | |
| 6002 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 6003 | | chains... |
| 6004 | | ISOLDE: stopped sim |
| 6005 | | |
| 6006 | | > view #1/u:12 |
| 6007 | | |
| 6008 | | > select sim start sel |
| 6009 | | |
| 6010 | | Expected an objects specifier or a keyword |
| 6011 | | |
| 6012 | | > view #1/u:12 |
| 6013 | | |
| 6014 | | > select #1/u:12 |
| 6015 | | |
| 6016 | | 17 atoms, 17 bonds, 1 residue, 1 model selected |
| 6017 | | |
| 6018 | | > isolde sim start sel |
| 6019 | | |
| 6020 | | ISOLDE: started sim |
| 6021 | | |
| 6022 | | > ui tool show "Ramachandran Plot" |
| 6023 | | |
| 6024 | | > isolde sim stop |
| 6025 | | |
| 6026 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 6027 | | chains... |
| 6028 | | ISOLDE: stopped sim |
| 6029 | | |
| 6030 | | > isolde sim start sel |
| 6031 | | |
| 6032 | | ISOLDE: started sim |
| 6033 | | |
| 6034 | | > ui tool show "Ramachandran Plot" |
| 6035 | | |
| 6036 | | [Repeated 1 time(s)] |
| 6037 | | |
| 6038 | | > select clear |
| 6039 | | |
| 6040 | | > isolde sim stop |
| 6041 | | |
| 6042 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 6043 | | chains... |
| 6044 | | ISOLDE: stopped sim |
| 6045 | | |
| 6046 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 6047 | | > mut8-no-C-ter/4-KSRP-no-C-ter-Step1-FourtenthSubsteps-End1d1db.cxs |
| 6048 | | |
| 6049 | | Taking snapshot of stepper: 5opt-concatenated-Map-Mut8-40S-noCter.pdb |
| 6050 | | |
| 6051 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 6052 | | > mut8-no-C-ter/14-KSRP-no-C-ter-Step1-FourtenthSubsteps-End1d1db.pdb |
| 6053 | | |
| 6054 | | > isolde cisflip #1.2/Q:137 |
| 6055 | | |
| 6056 | | Performing cis<\-->trans flip for 1 residues |
| 6057 | | ISOLDE: started sim |
| 6058 | | |
| 6059 | | > isolde sim stop discardTo start |
| 6060 | | |
| 6061 | | reverting to start |
| 6062 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 6063 | | chains... |
| 6064 | | ISOLDE: stopped sim |
| 6065 | | |
| 6066 | | > isolde sim start sel |
| 6067 | | |
| 6068 | | ISOLDE: started sim |
| 6069 | | |
| 6070 | | > isolde sim stop discardTo start |
| 6071 | | |
| 6072 | | reverting to start |
| 6073 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 6074 | | chains... |
| 6075 | | ISOLDE: stopped sim |
| 6076 | | |
| 6077 | | > isolde sim start sel |
| 6078 | | |
| 6079 | | ISOLDE: started sim |
| 6080 | | |
| 6081 | | > isolde cisflip sel |
| 6082 | | |
| 6083 | | Performing cis<\-->trans flip for 1 residues |
| 6084 | | |
| 6085 | | > isolde cisflip #1.2/Q:137 |
| 6086 | | |
| 6087 | | Performing cis<\-->trans flip for 1 residues |
| 6088 | | |
| 6089 | | > isolde pepflip sel |
| 6090 | | |
| 6091 | | Flipping the peptide bond for 1 residues |
| 6092 | | |
| 6093 | | > select clear |
| 6094 | | |
| 6095 | | [Repeated 2 time(s)] |
| 6096 | | |
| 6097 | | > ui tool show "Ramachandran Plot" |
| 6098 | | |
| 6099 | | > select clear |
| 6100 | | |
| 6101 | | > ui tool show "Ramachandran Plot" |
| 6102 | | |
| 6103 | | > view #1/Q:137 |
| 6104 | | |
| 6105 | | > isolde sim pause |
| 6106 | | |
| 6107 | | > isolde sim stop |
| 6108 | | |
| 6109 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 6110 | | chains... |
| 6111 | | ISOLDE: stopped sim |
| 6112 | | |
| 6113 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 6114 | | > mut8-no-C-ter/15-KSRP-no-C-ter-Step1-FifttenthSubsteps.pdb |
| 6115 | | |
| 6116 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 6117 | | > mut8-no-C-ter/15-KSRP-no-C-ter-Step1-FifttenthSubsteps.cxs |
| 6118 | | |
| 6119 | | Taking snapshot of stepper: 5opt-concatenated-Map-Mut8-40S-noCter.pdb |
| 6120 | | |
| 6121 | | > view #1/Q:137 |
| 6122 | | |
| 6123 | | > select #1/Q:137 |
| 6124 | | |
| 6125 | | 14 atoms, 14 bonds, 1 residue, 1 model selected |
| 6126 | | |
| 6127 | | > isolde sim start sel |
| 6128 | | |
| 6129 | | ISOLDE: started sim |
| 6130 | | |
| 6131 | | > ui tool show "Ramachandran Plot" |
| 6132 | | |
| 6133 | | > isolde pepflip sel |
| 6134 | | |
| 6135 | | Flipping the peptide bond for 1 residues |
| 6136 | | |
| 6137 | | > ui tool show "Ramachandran Plot" |
| 6138 | | |
| 6139 | | > isolde pepflip sel |
| 6140 | | |
| 6141 | | Flipping the peptide bond for 1 residues |
| 6142 | | |
| 6143 | | > select clear |
| 6144 | | |
| 6145 | | > isolde pepflip sel |
| 6146 | | |
| 6147 | | Flipping the peptide bond for 1 residues |
| 6148 | | |
| 6149 | | > select clear |
| 6150 | | |
| 6151 | | [Repeated 1 time(s)] |
| 6152 | | |
| 6153 | | > ui tool show "Ramachandran Plot" |
| 6154 | | |
| 6155 | | [Repeated 1 time(s)] |
| 6156 | | |
| 6157 | | > isolde sim stop |
| 6158 | | |
| 6159 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 6160 | | chains... |
| 6161 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 6162 | | standards. |
| 6163 | | ISOLDE: stopped sim |
| 6164 | | |
| 6165 | | > isolde sim start sel |
| 6166 | | |
| 6167 | | ISOLDE: started sim |
| 6168 | | |
| 6169 | | > isolde sim stop discardTo start |
| 6170 | | |
| 6171 | | reverting to start |
| 6172 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 6173 | | chains... |
| 6174 | | ISOLDE: stopped sim |
| 6175 | | |
| 6176 | | > select #1/Q:181 |
| 6177 | | |
| 6178 | | 19 atoms, 18 bonds, 1 residue, 1 model selected |
| 6179 | | |
| 6180 | | > isolde sim start sel |
| 6181 | | |
| 6182 | | ISOLDE: started sim |
| 6183 | | |
| 6184 | | > ui tool show "Ramachandran Plot" |
| 6185 | | |
| 6186 | | > isolde sim stop |
| 6187 | | |
| 6188 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 6189 | | chains... |
| 6190 | | ISOLDE: stopped sim |
| 6191 | | |
| 6192 | | > view #1/Q:137 |
| 6193 | | |
| 6194 | | > select #1/Q:137 |
| 6195 | | |
| 6196 | | 14 atoms, 14 bonds, 1 residue, 1 model selected |
| 6197 | | |
| 6198 | | > isolde sim start sel |
| 6199 | | |
| 6200 | | ISOLDE: started sim |
| 6201 | | |
| 6202 | | > ui tool show "Ramachandran Plot" |
| 6203 | | |
| 6204 | | > select clear |
| 6205 | | |
| 6206 | | > isolde sim stop |
| 6207 | | |
| 6208 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 6209 | | chains... |
| 6210 | | ISOLDE: stopped sim |
| 6211 | | |
| 6212 | | > isolde sim start sel |
| 6213 | | |
| 6214 | | ISOLDE: started sim |
| 6215 | | |
| 6216 | | > isolde cisflip #1.2/O:156 |
| 6217 | | |
| 6218 | | Performing cis<\-->trans flip for 1 residues |
| 6219 | | |
| 6220 | | > isolde pepflip sel |
| 6221 | | |
| 6222 | | Flipping the peptide bond for 1 residues |
| 6223 | | |
| 6224 | | > isolde pepflip sel |
| 6225 | | |
| 6226 | | Flipping the peptide bond for 1 residues |
| 6227 | | |
| 6228 | | > select clear |
| 6229 | | |
| 6230 | | > isolde pepflip sel |
| 6231 | | |
| 6232 | | Flipping the peptide bond for 1 residues |
| 6233 | | |
| 6234 | | > isolde pepflip sel |
| 6235 | | |
| 6236 | | Flipping the peptide bond for 1 residues |
| 6237 | | |
| 6238 | | > isolde sim stop discardTo start |
| 6239 | | |
| 6240 | | reverting to start |
| 6241 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 6242 | | chains... |
| 6243 | | ISOLDE: stopped sim |
| 6244 | | |
| 6245 | | > view #1/Q:137 |
| 6246 | | |
| 6247 | | [Repeated 1 time(s)] |
| 6248 | | |
| 6249 | | > view #1/Q:156 |
| 6250 | | |
| 6251 | | > select #1/Q:156 |
| 6252 | | |
| 6253 | | 22 atoms, 21 bonds, 1 residue, 1 model selected |
| 6254 | | |
| 6255 | | > select #1/O:156 |
| 6256 | | |
| 6257 | | 14 atoms, 14 bonds, 1 residue, 1 model selected |
| 6258 | | |
| 6259 | | > view #1/O:156 |
| 6260 | | |
| 6261 | | > select clear |
| 6262 | | |
| 6263 | | > isolde sim start sel |
| 6264 | | |
| 6265 | | ISOLDE: started sim |
| 6266 | | |
| 6267 | | > isolde cisflip #1.2/Q:44 |
| 6268 | | |
| 6269 | | Performing cis<\-->trans flip for 1 residues |
| 6270 | | |
| 6271 | | > isolde pepflip sel |
| 6272 | | |
| 6273 | | Flipping the peptide bond for 1 residues |
| 6274 | | |
| 6275 | | > isolde pepflip sel |
| 6276 | | |
| 6277 | | Flipping the peptide bond for 1 residues |
| 6278 | | |
| 6279 | | > isolde pepflip sel |
| 6280 | | |
| 6281 | | Flipping the peptide bond for 1 residues |
| 6282 | | |
| 6283 | | > isolde pepflip sel |
| 6284 | | |
| 6285 | | Flipping the peptide bond for 1 residues |
| 6286 | | |
| 6287 | | > select clear |
| 6288 | | |
| 6289 | | > isolde pepflip sel |
| 6290 | | |
| 6291 | | Flipping the peptide bond for 1 residues |
| 6292 | | |
| 6293 | | > isolde pepflip sel |
| 6294 | | |
| 6295 | | Flipping the peptide bond for 1 residues |
| 6296 | | |
| 6297 | | > ui tool show "Ramachandran Plot" |
| 6298 | | |
| 6299 | | > isolde sim stop discardTo start |
| 6300 | | |
| 6301 | | reverting to start |
| 6302 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 6303 | | chains... |
| 6304 | | ISOLDE: stopped sim |
| 6305 | | |
| 6306 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 6307 | | > mut8-no-C-ter/15-KSRP-no-C-ter-Step1-FivetenthSubsteps-Final-of-PART-1d1.cxs |
| 6308 | | |
| 6309 | | Taking snapshot of stepper: 5opt-concatenated-Map-Mut8-40S-noCter.pdb |
| 6310 | | |
| 6311 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 6312 | | > mut8-no-C-ter/16-KSRP-no-C-ter-Step1-FivetenthSubsteps-Final-of-PART-1d1.pdb |
| 6313 | | |
| 6314 | | > ui tool show "Ramachandran Plot" |
| 6315 | | |
| 6316 | | [Repeated 1 time(s)] |
| 6317 | | |
| 6318 | | > isolde sim start sel |
| 6319 | | |
| 6320 | | ISOLDE: started sim |
| 6321 | | |
| 6322 | | > ui tool show "Ramachandran Plot" |
| 6323 | | |
| 6324 | | > select clear |
| 6325 | | |
| 6326 | | > isolde pepflip sel |
| 6327 | | |
| 6328 | | Flipping the peptide bond for 1 residues |
| 6329 | | |
| 6330 | | > isolde pepflip sel |
| 6331 | | |
| 6332 | | Flipping the peptide bond for 1 residues |
| 6333 | | |
| 6334 | | > select clear |
| 6335 | | |
| 6336 | | [Repeated 1 time(s)] |
| 6337 | | |
| 6338 | | > isolde sim pause |
| 6339 | | |
| 6340 | | > isolde sim resume |
| 6341 | | |
| 6342 | | > isolde pepflip sel |
| 6343 | | |
| 6344 | | Flipping the peptide bond for 1 residues |
| 6345 | | |
| 6346 | | > isolde pepflip sel |
| 6347 | | |
| 6348 | | Flipping the peptide bond for 1 residues |
| 6349 | | |
| 6350 | | > select clear |
| 6351 | | |
| 6352 | | 3 models selected |
| 6353 | | |
| 6354 | | > select clear |
| 6355 | | |
| 6356 | | > ui tool show "Ramachandran Plot" |
| 6357 | | |
| 6358 | | > isolde sim pause |
| 6359 | | |
| 6360 | | > ui tool show "Ramachandran Plot" |
| 6361 | | |
| 6362 | | > view #1/h:163 |
| 6363 | | |
| 6364 | | > ui tool show "Ramachandran Plot" |
| 6365 | | |
| 6366 | | > isolde sim stop |
| 6367 | | |
| 6368 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 6369 | | chains... |
| 6370 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 6371 | | standards. |
| 6372 | | ISOLDE: stopped sim |
| 6373 | | |
| 6374 | | > ui tool show "Ramachandran Plot" |
| 6375 | | |
| 6376 | | > view #1/h:163 |
| 6377 | | |
| 6378 | | > isolde sim start sel |
| 6379 | | |
| 6380 | | ISOLDE: started sim |
| 6381 | | |
| 6382 | | > ui tool show "Ramachandran Plot" |
| 6383 | | |
| 6384 | | Traceback (most recent call last): |
| 6385 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6386 | | packages/matplotlib/cbook/__init__.py", line 287, in process |
| 6387 | | func(*args, **kwargs) |
| 6388 | | File "/srv/home/leonardo/.local/share/ChimeraX/1.4/site- |
| 6389 | | packages/chimerax/isolde/validation/ramaplot/ramaplot.py", line 292, in |
| 6390 | | on_resize |
| 6391 | | c.draw() |
| 6392 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6393 | | packages/matplotlib/backends/backend_agg.py", line 436, in draw |
| 6394 | | self.figure.draw(self.renderer) |
| 6395 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6396 | | packages/matplotlib/artist.py", line 73, in draw_wrapper |
| 6397 | | result = draw(artist, renderer, *args, **kwargs) |
| 6398 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6399 | | packages/matplotlib/artist.py", line 50, in draw_wrapper |
| 6400 | | return draw(artist, renderer) |
| 6401 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6402 | | packages/matplotlib/figure.py", line 2796, in draw |
| 6403 | | artists = self._get_draw_artists(renderer) |
| 6404 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6405 | | packages/matplotlib/figure.py", line 238, in _get_draw_artists |
| 6406 | | ax.apply_aspect() |
| 6407 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6408 | | packages/matplotlib/axes/_base.py", line 1890, in apply_aspect |
| 6409 | | pb1 = pb.shrunk_to_aspect(box_aspect, pb, fig_aspect) |
| 6410 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6411 | | packages/matplotlib/transforms.py", line 558, in shrunk_to_aspect |
| 6412 | | raise ValueError("'box_aspect' and 'fig_aspect' must be positive") |
| 6413 | | ValueError: 'box_aspect' and 'fig_aspect' must be positive |
| 6414 | | |
| 6415 | | > select clear |
| 6416 | | |
| 6417 | | [Repeated 3 time(s)] |
| 6418 | | |
| 6419 | | > isolde pepflip sel |
| 6420 | | |
| 6421 | | Flipping the peptide bond for 1 residues |
| 6422 | | |
| 6423 | | > isolde pepflip sel |
| 6424 | | |
| 6425 | | Flipping the peptide bond for 1 residues |
| 6426 | | |
| 6427 | | > isolde pepflip sel |
| 6428 | | |
| 6429 | | Flipping the peptide bond for 1 residues |
| 6430 | | |
| 6431 | | > select clear |
| 6432 | | |
| 6433 | | > isolde pepflip sel |
| 6434 | | |
| 6435 | | Flipping the peptide bond for 1 residues |
| 6436 | | |
| 6437 | | > isolde pepflip sel |
| 6438 | | |
| 6439 | | Flipping the peptide bond for 1 residues |
| 6440 | | |
| 6441 | | > select clear |
| 6442 | | |
| 6443 | | > ui tool show "Ramachandran Plot" |
| 6444 | | |
| 6445 | | Unable to flip peptide bond after 50 rounds. Giving up. |
| 6446 | | |
| 6447 | | > isolde pepflip sel |
| 6448 | | |
| 6449 | | Flipping the peptide bond for 1 residues |
| 6450 | | |
| 6451 | | > isolde pepflip sel |
| 6452 | | |
| 6453 | | Flipping the peptide bond for 1 residues |
| 6454 | | |
| 6455 | | > select clear |
| 6456 | | |
| 6457 | | Unable to flip peptide bond after 50 rounds. Giving up. |
| 6458 | | |
| 6459 | | > isolde sim pause |
| 6460 | | |
| 6461 | | > select #1/h:180|/h:184 |
| 6462 | | |
| 6463 | | 28 atoms, 26 bonds, 2 residues, 1 model selected |
| 6464 | | |
| 6465 | | > isolde sim start sel |
| 6466 | | |
| 6467 | | Simulation already running! |
| 6468 | | |
| 6469 | | > isolde sim stop |
| 6470 | | |
| 6471 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 6472 | | chains... |
| 6473 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 6474 | | standards. |
| 6475 | | ISOLDE: stopped sim |
| 6476 | | |
| 6477 | | > isolde sim start sel |
| 6478 | | |
| 6479 | | ISOLDE: started sim |
| 6480 | | |
| 6481 | | > select clear |
| 6482 | | |
| 6483 | | > isolde pepflip sel |
| 6484 | | |
| 6485 | | Flipping the peptide bond for 1 residues |
| 6486 | | |
| 6487 | | > isolde pepflip sel |
| 6488 | | |
| 6489 | | Flipping the peptide bond for 1 residues |
| 6490 | | |
| 6491 | | > isolde pepflip sel |
| 6492 | | |
| 6493 | | Flipping the peptide bond for 1 residues |
| 6494 | | |
| 6495 | | > select clear |
| 6496 | | |
| 6497 | | [Repeated 1 time(s)] |
| 6498 | | |
| 6499 | | > isolde pepflip sel |
| 6500 | | |
| 6501 | | Flipping the peptide bond for 1 residues |
| 6502 | | |
| 6503 | | > select clear |
| 6504 | | |
| 6505 | | > isolde pepflip sel |
| 6506 | | |
| 6507 | | Flipping the peptide bond for 1 residues |
| 6508 | | |
| 6509 | | > select clear |
| 6510 | | |
| 6511 | | > isolde sim pause |
| 6512 | | |
| 6513 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 6514 | | > mut8-no-C-ter/17-KSRP-no-C-ter-Step1-SevententhSubstep.pdb |
| 6515 | | |
| 6516 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 6517 | | > mut8-no-C-ter/17-KSRP-no-C-ter-Step1-SevententhSubstep.cxs |
| 6518 | | |
| 6519 | | Taking snapshot of stepper: 5opt-concatenated-Map-Mut8-40S-noCter.pdb |
| 6520 | | |
| 6521 | | > isolde sim start sel |
| 6522 | | |
| 6523 | | Simulation already running! |
| 6524 | | |
| 6525 | | > isolde sim resume |
| 6526 | | |
| 6527 | | > select clear |
| 6528 | | |
| 6529 | | [Repeated 4 time(s)] |
| 6530 | | |
| 6531 | | > isolde pepflip sel |
| 6532 | | |
| 6533 | | Flipping the peptide bond for 1 residues |
| 6534 | | |
| 6535 | | > isolde pepflip sel |
| 6536 | | |
| 6537 | | Flipping the peptide bond for 1 residues |
| 6538 | | |
| 6539 | | > select clear |
| 6540 | | |
| 6541 | | > isolde pepflip sel |
| 6542 | | |
| 6543 | | Flipping the peptide bond for 1 residues |
| 6544 | | |
| 6545 | | > select #1/h |
| 6546 | | |
| 6547 | | 2451 atoms, 2474 bonds, 153 residues, 1 model selected |
| 6548 | | |
| 6549 | | > select clear |
| 6550 | | |
| 6551 | | > ui tool show "Ramachandran Plot" |
| 6552 | | |
| 6553 | | > view #1/h:N183 |
| 6554 | | |
| 6555 | | No objects specified. |
| 6556 | | |
| 6557 | | > view #1/h:183 |
| 6558 | | |
| 6559 | | > isolde sim pause |
| 6560 | | |
| 6561 | | > isolde sim resume |
| 6562 | | |
| 6563 | | > select clear |
| 6564 | | |
| 6565 | | [Repeated 2 time(s)] |
| 6566 | | |
| 6567 | | > isolde pepflip sel |
| 6568 | | |
| 6569 | | Flipping the peptide bond for 1 residues |
| 6570 | | |
| 6571 | | > isolde pepflip sel |
| 6572 | | |
| 6573 | | Flipping the peptide bond for 1 residues |
| 6574 | | |
| 6575 | | > isolde pepflip sel |
| 6576 | | |
| 6577 | | Flipping the peptide bond for 1 residues |
| 6578 | | Unable to flip peptide bond after 50 rounds. Giving up. |
| 6579 | | [Repeated 1 time(s)] |
| 6580 | | |
| 6581 | | > select clear |
| 6582 | | |
| 6583 | | > isolde sim stop |
| 6584 | | |
| 6585 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 6586 | | chains... |
| 6587 | | ISOLDE: stopped sim |
| 6588 | | |
| 6589 | | > view #1/h |
| 6590 | | |
| 6591 | | > select #1/h |
| 6592 | | |
| 6593 | | 2451 atoms, 2474 bonds, 153 residues, 1 model selected |
| 6594 | | |
| 6595 | | > isolde sim start sel |
| 6596 | | |
| 6597 | | ISOLDE: started sim |
| 6598 | | |
| 6599 | | > ui tool show "Ramachandran Plot" |
| 6600 | | |
| 6601 | | > isolde pepflip sel |
| 6602 | | |
| 6603 | | Flipping the peptide bond for 1 residues |
| 6604 | | |
| 6605 | | > select clear |
| 6606 | | |
| 6607 | | > isolde sim pause |
| 6608 | | |
| 6609 | | > isolde sim resume |
| 6610 | | |
| 6611 | | > select clear |
| 6612 | | |
| 6613 | | > isolde pepflip sel |
| 6614 | | |
| 6615 | | Flipping the peptide bond for 1 residues |
| 6616 | | |
| 6617 | | > select clear |
| 6618 | | |
| 6619 | | > isolde sim stop |
| 6620 | | |
| 6621 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 6622 | | chains... |
| 6623 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 6624 | | standards. |
| 6625 | | ISOLDE: stopped sim |
| 6626 | | |
| 6627 | | > select #1/h |
| 6628 | | |
| 6629 | | 2451 atoms, 2474 bonds, 153 residues, 1 model selected |
| 6630 | | |
| 6631 | | > isolde sim start sel |
| 6632 | | |
| 6633 | | ISOLDE: started sim |
| 6634 | | |
| 6635 | | > select clear |
| 6636 | | |
| 6637 | | > isolde pepflip sel |
| 6638 | | |
| 6639 | | Flipping the peptide bond for 1 residues |
| 6640 | | |
| 6641 | | > isolde pepflip sel |
| 6642 | | |
| 6643 | | Flipping the peptide bond for 1 residues |
| 6644 | | |
| 6645 | | > isolde sim pause |
| 6646 | | |
| 6647 | | > ui tool show "Ramachandran Plot" |
| 6648 | | |
| 6649 | | > isolde sim resume |
| 6650 | | |
| 6651 | | > isolde pepflip sel |
| 6652 | | |
| 6653 | | Flipping the peptide bond for 1 residues |
| 6654 | | |
| 6655 | | > isolde pepflip sel |
| 6656 | | |
| 6657 | | Flipping the peptide bond for 1 residues |
| 6658 | | |
| 6659 | | > select #1/h:115-119 |
| 6660 | | |
| 6661 | | 85 atoms, 84 bonds, 5 residues, 1 model selected |
| 6662 | | |
| 6663 | | > select clear |
| 6664 | | |
| 6665 | | > select #1/h:215-219 |
| 6666 | | |
| 6667 | | 70 atoms, 69 bonds, 5 residues, 1 model selected |
| 6668 | | |
| 6669 | | > select #1/h:152-155 |
| 6670 | | |
| 6671 | | 61 atoms, 62 bonds, 4 residues, 1 model selected |
| 6672 | | |
| 6673 | | > select #1/h:152-156 |
| 6674 | | |
| 6675 | | 80 atoms, 81 bonds, 5 residues, 1 model selected |
| 6676 | | |
| 6677 | | > select #1/h |
| 6678 | | |
| 6679 | | 2451 atoms, 2474 bonds, 153 residues, 1 model selected |
| 6680 | | |
| 6681 | | > select clear |
| 6682 | | |
| 6683 | | [Repeated 1 time(s)] |
| 6684 | | |
| 6685 | | > isolde pepflip sel |
| 6686 | | |
| 6687 | | Flipping the peptide bond for 1 residues |
| 6688 | | |
| 6689 | | > select clear |
| 6690 | | |
| 6691 | | > isolde pepflip sel |
| 6692 | | |
| 6693 | | Flipping the peptide bond for 1 residues |
| 6694 | | |
| 6695 | | > isolde pepflip sel |
| 6696 | | |
| 6697 | | Flipping the peptide bond for 1 residues |
| 6698 | | Unable to flip peptide bond after 50 rounds. Giving up. |
| 6699 | | |
| 6700 | | > select clear |
| 6701 | | |
| 6702 | | [Repeated 1 time(s)] |
| 6703 | | |
| 6704 | | > isolde pepflip sel |
| 6705 | | |
| 6706 | | Flipping the peptide bond for 1 residues |
| 6707 | | |
| 6708 | | > select clear |
| 6709 | | |
| 6710 | | > isolde sim pause |
| 6711 | | |
| 6712 | | > isolde sim resume |
| 6713 | | |
| 6714 | | > ui tool show "Ramachandran Plot" |
| 6715 | | |
| 6716 | | > isolde sim pause |
| 6717 | | |
| 6718 | | > isolde sim resume |
| 6719 | | |
| 6720 | | > view #1/P:244 |
| 6721 | | |
| 6722 | | > view #1/h |
| 6723 | | |
| 6724 | | > ui tool show "Ramachandran Plot" |
| 6725 | | |
| 6726 | | 3 models selected |
| 6727 | | [Repeated 2 time(s)] |
| 6728 | | |
| 6729 | | > isolde sim pause |
| 6730 | | |
| 6731 | | > isolde sim resume |
| 6732 | | |
| 6733 | | > isolde sim pause |
| 6734 | | |
| 6735 | | > isolde sim resume |
| 6736 | | |
| 6737 | | > select clear |
| 6738 | | |
| 6739 | | 3 models selected |
| 6740 | | |
| 6741 | | > select clear |
| 6742 | | |
| 6743 | | > ui tool show "Ramachandran Plot" |
| 6744 | | |
| 6745 | | [Repeated 1 time(s)] |
| 6746 | | |
| 6747 | | > isolde sim pause |
| 6748 | | |
| 6749 | | > isolde sim resume |
| 6750 | | |
| 6751 | | > isolde sim pause |
| 6752 | | |
| 6753 | | > ui tool show "Ramachandran Plot" |
| 6754 | | |
| 6755 | | > isolde sim resume |
| 6756 | | |
| 6757 | | > select clear |
| 6758 | | |
| 6759 | | > isolde pepflip sel |
| 6760 | | |
| 6761 | | Flipping the peptide bond for 1 residues |
| 6762 | | |
| 6763 | | > select clear |
| 6764 | | |
| 6765 | | > isolde pepflip sel |
| 6766 | | |
| 6767 | | Flipping the peptide bond for 1 residues |
| 6768 | | |
| 6769 | | > select clear |
| 6770 | | |
| 6771 | | Unable to flip peptide bond after 50 rounds. Giving up. |
| 6772 | | |
| 6773 | | > ui tool show "Ramachandran Plot" |
| 6774 | | |
| 6775 | | > isolde sim pause |
| 6776 | | |
| 6777 | | > isolde sim resume |
| 6778 | | |
| 6779 | | > select clear |
| 6780 | | |
| 6781 | | [Repeated 2 time(s)] |
| 6782 | | |
| 6783 | | > isolde pepflip sel |
| 6784 | | |
| 6785 | | Flipping the peptide bond for 1 residues |
| 6786 | | |
| 6787 | | > select clear |
| 6788 | | |
| 6789 | | > isolde pepflip sel |
| 6790 | | |
| 6791 | | Flipping the peptide bond for 1 residues |
| 6792 | | Unable to flip peptide bond after 50 rounds. Giving up. |
| 6793 | | |
| 6794 | | > select clear |
| 6795 | | |
| 6796 | | > ui tool show "Ramachandran Plot" |
| 6797 | | |
| 6798 | | > isolde pepflip sel |
| 6799 | | |
| 6800 | | Flipping the peptide bond for 1 residues |
| 6801 | | |
| 6802 | | > select clear |
| 6803 | | |
| 6804 | | > isolde pepflip sel |
| 6805 | | |
| 6806 | | Flipping the peptide bond for 1 residues |
| 6807 | | |
| 6808 | | > select clear |
| 6809 | | |
| 6810 | | > ui tool show "Ramachandran Plot" |
| 6811 | | |
| 6812 | | > select clear |
| 6813 | | |
| 6814 | | [Repeated 3 time(s)] |
| 6815 | | |
| 6816 | | > ui tool show "Ramachandran Plot" |
| 6817 | | |
| 6818 | | > isolde sim pause |
| 6819 | | |
| 6820 | | > isolde sim resume |
| 6821 | | |
| 6822 | | > ui tool show "Ramachandran Plot" |
| 6823 | | |
| 6824 | | > select clear |
| 6825 | | |
| 6826 | | [Repeated 1 time(s)] |
| 6827 | | |
| 6828 | | > ui tool show "Ramachandran Plot" |
| 6829 | | |
| 6830 | | [Repeated 5 time(s)] |
| 6831 | | |
| 6832 | | > isolde pepflip sel |
| 6833 | | |
| 6834 | | Flipping the peptide bond for 1 residues |
| 6835 | | |
| 6836 | | > select clear |
| 6837 | | |
| 6838 | | > isolde pepflip sel |
| 6839 | | |
| 6840 | | Flipping the peptide bond for 1 residues |
| 6841 | | |
| 6842 | | > select clear |
| 6843 | | |
| 6844 | | > isolde pepflip sel |
| 6845 | | |
| 6846 | | Flipping the peptide bond for 1 residues |
| 6847 | | |
| 6848 | | > select clear |
| 6849 | | |
| 6850 | | > isolde pepflip sel |
| 6851 | | |
| 6852 | | Flipping the peptide bond for 1 residues |
| 6853 | | |
| 6854 | | > isolde pepflip sel |
| 6855 | | |
| 6856 | | Flipping the peptide bond for 1 residues |
| 6857 | | |
| 6858 | | > ui tool show "Ramachandran Plot" |
| 6859 | | |
| 6860 | | > select clear |
| 6861 | | |
| 6862 | | > isolde pepflip sel |
| 6863 | | |
| 6864 | | Flipping the peptide bond for 1 residues |
| 6865 | | |
| 6866 | | > isolde pepflip sel |
| 6867 | | |
| 6868 | | Flipping the peptide bond for 1 residues |
| 6869 | | |
| 6870 | | > ui tool show "Ramachandran Plot" |
| 6871 | | |
| 6872 | | [Repeated 1 time(s)]Traceback (most recent call last): |
| 6873 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6874 | | packages/matplotlib/cbook/__init__.py", line 287, in process |
| 6875 | | func(*args, **kwargs) |
| 6876 | | File "/srv/home/leonardo/.local/share/ChimeraX/1.4/site- |
| 6877 | | packages/chimerax/isolde/validation/ramaplot/ramaplot.py", line 292, in |
| 6878 | | on_resize |
| 6879 | | c.draw() |
| 6880 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6881 | | packages/matplotlib/backends/backend_agg.py", line 436, in draw |
| 6882 | | self.figure.draw(self.renderer) |
| 6883 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6884 | | packages/matplotlib/artist.py", line 73, in draw_wrapper |
| 6885 | | result = draw(artist, renderer, *args, **kwargs) |
| 6886 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6887 | | packages/matplotlib/artist.py", line 50, in draw_wrapper |
| 6888 | | return draw(artist, renderer) |
| 6889 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6890 | | packages/matplotlib/figure.py", line 2796, in draw |
| 6891 | | artists = self._get_draw_artists(renderer) |
| 6892 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6893 | | packages/matplotlib/figure.py", line 238, in _get_draw_artists |
| 6894 | | ax.apply_aspect() |
| 6895 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6896 | | packages/matplotlib/axes/_base.py", line 1890, in apply_aspect |
| 6897 | | pb1 = pb.shrunk_to_aspect(box_aspect, pb, fig_aspect) |
| 6898 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6899 | | packages/matplotlib/transforms.py", line 558, in shrunk_to_aspect |
| 6900 | | raise ValueError("'box_aspect' and 'fig_aspect' must be positive") |
| 6901 | | ValueError: 'box_aspect' and 'fig_aspect' must be positive |
| 6902 | | |
| 6903 | | > select clear |
| 6904 | | |
| 6905 | | > ui tool show "Ramachandran Plot" |
| 6906 | | |
| 6907 | | > isolde pepflip sel |
| 6908 | | |
| 6909 | | Flipping the peptide bond for 1 residues |
| 6910 | | |
| 6911 | | > select clear |
| 6912 | | |
| 6913 | | > isolde pepflip sel |
| 6914 | | |
| 6915 | | Flipping the peptide bond for 1 residues |
| 6916 | | |
| 6917 | | > isolde pepflip sel |
| 6918 | | |
| 6919 | | Flipping the peptide bond for 1 residues |
| 6920 | | Unable to flip peptide bond after 50 rounds. Giving up. |
| 6921 | | Traceback (most recent call last): |
| 6922 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6923 | | packages/matplotlib/cbook/__init__.py", line 287, in process |
| 6924 | | func(*args, **kwargs) |
| 6925 | | File "/srv/home/leonardo/.local/share/ChimeraX/1.4/site- |
| 6926 | | packages/chimerax/isolde/validation/ramaplot/ramaplot.py", line 292, in |
| 6927 | | on_resize |
| 6928 | | c.draw() |
| 6929 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6930 | | packages/matplotlib/backends/backend_agg.py", line 436, in draw |
| 6931 | | self.figure.draw(self.renderer) |
| 6932 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6933 | | packages/matplotlib/artist.py", line 73, in draw_wrapper |
| 6934 | | result = draw(artist, renderer, *args, **kwargs) |
| 6935 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6936 | | packages/matplotlib/artist.py", line 50, in draw_wrapper |
| 6937 | | return draw(artist, renderer) |
| 6938 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6939 | | packages/matplotlib/figure.py", line 2796, in draw |
| 6940 | | artists = self._get_draw_artists(renderer) |
| 6941 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6942 | | packages/matplotlib/figure.py", line 238, in _get_draw_artists |
| 6943 | | ax.apply_aspect() |
| 6944 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6945 | | packages/matplotlib/axes/_base.py", line 1890, in apply_aspect |
| 6946 | | pb1 = pb.shrunk_to_aspect(box_aspect, pb, fig_aspect) |
| 6947 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6948 | | packages/matplotlib/transforms.py", line 558, in shrunk_to_aspect |
| 6949 | | raise ValueError("'box_aspect' and 'fig_aspect' must be positive") |
| 6950 | | ValueError: 'box_aspect' and 'fig_aspect' must be positive |
| 6951 | | |
| 6952 | | > isolde pepflip sel |
| 6953 | | |
| 6954 | | Flipping the peptide bond for 1 residues |
| 6955 | | |
| 6956 | | > select #1/h |
| 6957 | | |
| 6958 | | 2451 atoms, 2474 bonds, 153 residues, 1 model selected |
| 6959 | | |
| 6960 | | > select clear |
| 6961 | | |
| 6962 | | [Repeated 1 time(s)] |
| 6963 | | |
| 6964 | | > ui tool show "Ramachandran Plot" |
| 6965 | | |
| 6966 | | Traceback (most recent call last): |
| 6967 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6968 | | packages/matplotlib/cbook/__init__.py", line 287, in process |
| 6969 | | func(*args, **kwargs) |
| 6970 | | File "/srv/home/leonardo/.local/share/ChimeraX/1.4/site- |
| 6971 | | packages/chimerax/isolde/validation/ramaplot/ramaplot.py", line 292, in |
| 6972 | | on_resize |
| 6973 | | c.draw() |
| 6974 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6975 | | packages/matplotlib/backends/backend_agg.py", line 436, in draw |
| 6976 | | self.figure.draw(self.renderer) |
| 6977 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6978 | | packages/matplotlib/artist.py", line 73, in draw_wrapper |
| 6979 | | result = draw(artist, renderer, *args, **kwargs) |
| 6980 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6981 | | packages/matplotlib/artist.py", line 50, in draw_wrapper |
| 6982 | | return draw(artist, renderer) |
| 6983 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6984 | | packages/matplotlib/figure.py", line 2796, in draw |
| 6985 | | artists = self._get_draw_artists(renderer) |
| 6986 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6987 | | packages/matplotlib/figure.py", line 238, in _get_draw_artists |
| 6988 | | ax.apply_aspect() |
| 6989 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6990 | | packages/matplotlib/axes/_base.py", line 1890, in apply_aspect |
| 6991 | | pb1 = pb.shrunk_to_aspect(box_aspect, pb, fig_aspect) |
| 6992 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6993 | | packages/matplotlib/transforms.py", line 558, in shrunk_to_aspect |
| 6994 | | raise ValueError("'box_aspect' and 'fig_aspect' must be positive") |
| 6995 | | ValueError: 'box_aspect' and 'fig_aspect' must be positive |
| 6996 | | Traceback (most recent call last): |
| 6997 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 6998 | | packages/matplotlib/cbook/__init__.py", line 287, in process |
| 6999 | | func(*args, **kwargs) |
| 7000 | | File "/srv/home/leonardo/.local/share/ChimeraX/1.4/site- |
| 7001 | | packages/chimerax/isolde/validation/ramaplot/ramaplot.py", line 292, in |
| 7002 | | on_resize |
| 7003 | | c.draw() |
| 7004 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7005 | | packages/matplotlib/backends/backend_agg.py", line 436, in draw |
| 7006 | | self.figure.draw(self.renderer) |
| 7007 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7008 | | packages/matplotlib/artist.py", line 73, in draw_wrapper |
| 7009 | | result = draw(artist, renderer, *args, **kwargs) |
| 7010 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7011 | | packages/matplotlib/artist.py", line 50, in draw_wrapper |
| 7012 | | return draw(artist, renderer) |
| 7013 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7014 | | packages/matplotlib/figure.py", line 2796, in draw |
| 7015 | | artists = self._get_draw_artists(renderer) |
| 7016 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7017 | | packages/matplotlib/figure.py", line 238, in _get_draw_artists |
| 7018 | | ax.apply_aspect() |
| 7019 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7020 | | packages/matplotlib/axes/_base.py", line 1890, in apply_aspect |
| 7021 | | pb1 = pb.shrunk_to_aspect(box_aspect, pb, fig_aspect) |
| 7022 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7023 | | packages/matplotlib/transforms.py", line 558, in shrunk_to_aspect |
| 7024 | | raise ValueError("'box_aspect' and 'fig_aspect' must be positive") |
| 7025 | | ValueError: 'box_aspect' and 'fig_aspect' must be positive |
| 7026 | | |
| 7027 | | > isolde pepflip sel |
| 7028 | | |
| 7029 | | Flipping the peptide bond for 1 residues |
| 7030 | | |
| 7031 | | > select clear |
| 7032 | | |
| 7033 | | > isolde pepflip sel |
| 7034 | | |
| 7035 | | Flipping the peptide bond for 1 residues |
| 7036 | | |
| 7037 | | > select clear |
| 7038 | | |
| 7039 | | [Repeated 2 time(s)] |
| 7040 | | |
| 7041 | | > isolde pepflip sel |
| 7042 | | |
| 7043 | | Flipping the peptide bond for 1 residues |
| 7044 | | |
| 7045 | | > ui tool show "Ramachandran Plot" |
| 7046 | | |
| 7047 | | [Repeated 1 time(s)] |
| 7048 | | |
| 7049 | | > select clear |
| 7050 | | |
| 7051 | | > isolde pepflip sel |
| 7052 | | |
| 7053 | | Flipping the peptide bond for 1 residues |
| 7054 | | |
| 7055 | | > isolde pepflip sel |
| 7056 | | |
| 7057 | | Flipping the peptide bond for 1 residues |
| 7058 | | |
| 7059 | | > ui tool show "Ramachandran Plot" |
| 7060 | | |
| 7061 | | > select clear |
| 7062 | | |
| 7063 | | [Repeated 1 time(s)] |
| 7064 | | |
| 7065 | | > isolde pepflip sel |
| 7066 | | |
| 7067 | | Flipping the peptide bond for 1 residues |
| 7068 | | |
| 7069 | | > select clear |
| 7070 | | |
| 7071 | | > isolde pepflip sel |
| 7072 | | |
| 7073 | | Flipping the peptide bond for 1 residues |
| 7074 | | |
| 7075 | | > isolde pepflip sel |
| 7076 | | |
| 7077 | | Flipping the peptide bond for 1 residues |
| 7078 | | |
| 7079 | | > select clear |
| 7080 | | |
| 7081 | | > isolde pepflip sel |
| 7082 | | |
| 7083 | | Flipping the peptide bond for 1 residues |
| 7084 | | |
| 7085 | | > select clear |
| 7086 | | |
| 7087 | | [Repeated 1 time(s)] |
| 7088 | | |
| 7089 | | > select #1/h |
| 7090 | | |
| 7091 | | 2451 atoms, 2474 bonds, 153 residues, 1 model selected |
| 7092 | | |
| 7093 | | > select #1/h |
| 7094 | | |
| 7095 | | 2451 atoms, 2474 bonds, 153 residues, 1 model selected |
| 7096 | | |
| 7097 | | > ui tool show "Ramachandran Plot" |
| 7098 | | |
| 7099 | | > select clear |
| 7100 | | |
| 7101 | | Traceback (most recent call last): |
| 7102 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7103 | | packages/matplotlib/cbook/__init__.py", line 287, in process |
| 7104 | | func(*args, **kwargs) |
| 7105 | | File "/srv/home/leonardo/.local/share/ChimeraX/1.4/site- |
| 7106 | | packages/chimerax/isolde/validation/ramaplot/ramaplot.py", line 292, in |
| 7107 | | on_resize |
| 7108 | | c.draw() |
| 7109 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7110 | | packages/matplotlib/backends/backend_agg.py", line 436, in draw |
| 7111 | | self.figure.draw(self.renderer) |
| 7112 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7113 | | packages/matplotlib/artist.py", line 73, in draw_wrapper |
| 7114 | | result = draw(artist, renderer, *args, **kwargs) |
| 7115 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7116 | | packages/matplotlib/artist.py", line 50, in draw_wrapper |
| 7117 | | return draw(artist, renderer) |
| 7118 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7119 | | packages/matplotlib/figure.py", line 2796, in draw |
| 7120 | | artists = self._get_draw_artists(renderer) |
| 7121 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7122 | | packages/matplotlib/figure.py", line 238, in _get_draw_artists |
| 7123 | | ax.apply_aspect() |
| 7124 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7125 | | packages/matplotlib/axes/_base.py", line 1890, in apply_aspect |
| 7126 | | pb1 = pb.shrunk_to_aspect(box_aspect, pb, fig_aspect) |
| 7127 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7128 | | packages/matplotlib/transforms.py", line 558, in shrunk_to_aspect |
| 7129 | | raise ValueError("'box_aspect' and 'fig_aspect' must be positive") |
| 7130 | | ValueError: 'box_aspect' and 'fig_aspect' must be positive |
| 7131 | | Traceback (most recent call last): |
| 7132 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7133 | | packages/matplotlib/cbook/__init__.py", line 287, in process |
| 7134 | | func(*args, **kwargs) |
| 7135 | | File "/srv/home/leonardo/.local/share/ChimeraX/1.4/site- |
| 7136 | | packages/chimerax/isolde/validation/ramaplot/ramaplot.py", line 292, in |
| 7137 | | on_resize |
| 7138 | | c.draw() |
| 7139 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7140 | | packages/matplotlib/backends/backend_agg.py", line 436, in draw |
| 7141 | | self.figure.draw(self.renderer) |
| 7142 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7143 | | packages/matplotlib/artist.py", line 73, in draw_wrapper |
| 7144 | | result = draw(artist, renderer, *args, **kwargs) |
| 7145 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7146 | | packages/matplotlib/artist.py", line 50, in draw_wrapper |
| 7147 | | return draw(artist, renderer) |
| 7148 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7149 | | packages/matplotlib/figure.py", line 2796, in draw |
| 7150 | | artists = self._get_draw_artists(renderer) |
| 7151 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7152 | | packages/matplotlib/figure.py", line 238, in _get_draw_artists |
| 7153 | | ax.apply_aspect() |
| 7154 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7155 | | packages/matplotlib/axes/_base.py", line 1890, in apply_aspect |
| 7156 | | pb1 = pb.shrunk_to_aspect(box_aspect, pb, fig_aspect) |
| 7157 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7158 | | packages/matplotlib/transforms.py", line 558, in shrunk_to_aspect |
| 7159 | | raise ValueError("'box_aspect' and 'fig_aspect' must be positive") |
| 7160 | | ValueError: 'box_aspect' and 'fig_aspect' must be positive |
| 7161 | | |
| 7162 | | > isolde pepflip sel |
| 7163 | | |
| 7164 | | Flipping the peptide bond for 1 residues |
| 7165 | | |
| 7166 | | > isolde pepflip sel |
| 7167 | | |
| 7168 | | Flipping the peptide bond for 1 residues |
| 7169 | | Traceback (most recent call last): |
| 7170 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7171 | | packages/matplotlib/cbook/__init__.py", line 287, in process |
| 7172 | | func(*args, **kwargs) |
| 7173 | | File "/srv/home/leonardo/.local/share/ChimeraX/1.4/site- |
| 7174 | | packages/chimerax/isolde/validation/ramaplot/ramaplot.py", line 292, in |
| 7175 | | on_resize |
| 7176 | | c.draw() |
| 7177 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7178 | | packages/matplotlib/backends/backend_agg.py", line 436, in draw |
| 7179 | | self.figure.draw(self.renderer) |
| 7180 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7181 | | packages/matplotlib/artist.py", line 73, in draw_wrapper |
| 7182 | | result = draw(artist, renderer, *args, **kwargs) |
| 7183 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7184 | | packages/matplotlib/artist.py", line 50, in draw_wrapper |
| 7185 | | return draw(artist, renderer) |
| 7186 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7187 | | packages/matplotlib/figure.py", line 2796, in draw |
| 7188 | | artists = self._get_draw_artists(renderer) |
| 7189 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7190 | | packages/matplotlib/figure.py", line 238, in _get_draw_artists |
| 7191 | | ax.apply_aspect() |
| 7192 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7193 | | packages/matplotlib/axes/_base.py", line 1890, in apply_aspect |
| 7194 | | pb1 = pb.shrunk_to_aspect(box_aspect, pb, fig_aspect) |
| 7195 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7196 | | packages/matplotlib/transforms.py", line 558, in shrunk_to_aspect |
| 7197 | | raise ValueError("'box_aspect' and 'fig_aspect' must be positive") |
| 7198 | | ValueError: 'box_aspect' and 'fig_aspect' must be positive |
| 7199 | | |
| 7200 | | > ui tool show "Ramachandran Plot" |
| 7201 | | |
| 7202 | | > select #1/h |
| 7203 | | |
| 7204 | | 2451 atoms, 2474 bonds, 153 residues, 1 model selected |
| 7205 | | |
| 7206 | | > select clear |
| 7207 | | |
| 7208 | | > ui tool show "Ramachandran Plot" |
| 7209 | | |
| 7210 | | [Repeated 1 time(s)] |
| 7211 | | |
| 7212 | | > select clear |
| 7213 | | |
| 7214 | | > ui tool show "Ramachandran Plot" |
| 7215 | | |
| 7216 | | Traceback (most recent call last): |
| 7217 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7218 | | packages/matplotlib/cbook/__init__.py", line 287, in process |
| 7219 | | func(*args, **kwargs) |
| 7220 | | File "/srv/home/leonardo/.local/share/ChimeraX/1.4/site- |
| 7221 | | packages/chimerax/isolde/validation/ramaplot/ramaplot.py", line 292, in |
| 7222 | | on_resize |
| 7223 | | c.draw() |
| 7224 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7225 | | packages/matplotlib/backends/backend_agg.py", line 436, in draw |
| 7226 | | self.figure.draw(self.renderer) |
| 7227 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7228 | | packages/matplotlib/artist.py", line 73, in draw_wrapper |
| 7229 | | result = draw(artist, renderer, *args, **kwargs) |
| 7230 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7231 | | packages/matplotlib/artist.py", line 50, in draw_wrapper |
| 7232 | | return draw(artist, renderer) |
| 7233 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7234 | | packages/matplotlib/figure.py", line 2796, in draw |
| 7235 | | artists = self._get_draw_artists(renderer) |
| 7236 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7237 | | packages/matplotlib/figure.py", line 238, in _get_draw_artists |
| 7238 | | ax.apply_aspect() |
| 7239 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7240 | | packages/matplotlib/axes/_base.py", line 1890, in apply_aspect |
| 7241 | | pb1 = pb.shrunk_to_aspect(box_aspect, pb, fig_aspect) |
| 7242 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7243 | | packages/matplotlib/transforms.py", line 558, in shrunk_to_aspect |
| 7244 | | raise ValueError("'box_aspect' and 'fig_aspect' must be positive") |
| 7245 | | ValueError: 'box_aspect' and 'fig_aspect' must be positive |
| 7246 | | |
| 7247 | | > ui tool show "Ramachandran Plot" |
| 7248 | | |
| 7249 | | [Repeated 1 time(s)] |
| 7250 | | |
| 7251 | | > select clear |
| 7252 | | |
| 7253 | | > ui tool show "Ramachandran Plot" |
| 7254 | | |
| 7255 | | > isolde pepflip sel |
| 7256 | | |
| 7257 | | Flipping the peptide bond for 1 residues |
| 7258 | | |
| 7259 | | > select clear |
| 7260 | | |
| 7261 | | [Repeated 1 time(s)] |
| 7262 | | |
| 7263 | | > ui tool show "Ramachandran Plot" |
| 7264 | | |
| 7265 | | > select #1/h |
| 7266 | | |
| 7267 | | 2451 atoms, 2474 bonds, 153 residues, 1 model selected |
| 7268 | | |
| 7269 | | > select #1/h |
| 7270 | | |
| 7271 | | 2451 atoms, 2474 bonds, 153 residues, 1 model selected |
| 7272 | | |
| 7273 | | > select clear |
| 7274 | | |
| 7275 | | [Repeated 1 time(s)] |
| 7276 | | |
| 7277 | | > ui tool show "Ramachandran Plot" |
| 7278 | | |
| 7279 | | > select clear |
| 7280 | | |
| 7281 | | > isolde pepflip sel |
| 7282 | | |
| 7283 | | Flipping the peptide bond for 1 residues |
| 7284 | | |
| 7285 | | > isolde pepflip sel |
| 7286 | | |
| 7287 | | Flipping the peptide bond for 1 residues |
| 7288 | | |
| 7289 | | > select clear |
| 7290 | | |
| 7291 | | > isolde pepflip sel |
| 7292 | | |
| 7293 | | Flipping the peptide bond for 1 residues |
| 7294 | | |
| 7295 | | > select clear |
| 7296 | | |
| 7297 | | > isolde pepflip sel |
| 7298 | | |
| 7299 | | Flipping the peptide bond for 1 residues |
| 7300 | | |
| 7301 | | > select clear |
| 7302 | | |
| 7303 | | Traceback (most recent call last): |
| 7304 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7305 | | packages/matplotlib/cbook/__init__.py", line 287, in process |
| 7306 | | func(*args, **kwargs) |
| 7307 | | File "/srv/home/leonardo/.local/share/ChimeraX/1.4/site- |
| 7308 | | packages/chimerax/isolde/validation/ramaplot/ramaplot.py", line 292, in |
| 7309 | | on_resize |
| 7310 | | c.draw() |
| 7311 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7312 | | packages/matplotlib/backends/backend_agg.py", line 436, in draw |
| 7313 | | self.figure.draw(self.renderer) |
| 7314 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7315 | | packages/matplotlib/artist.py", line 73, in draw_wrapper |
| 7316 | | result = draw(artist, renderer, *args, **kwargs) |
| 7317 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7318 | | packages/matplotlib/artist.py", line 50, in draw_wrapper |
| 7319 | | return draw(artist, renderer) |
| 7320 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7321 | | packages/matplotlib/figure.py", line 2796, in draw |
| 7322 | | artists = self._get_draw_artists(renderer) |
| 7323 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7324 | | packages/matplotlib/figure.py", line 238, in _get_draw_artists |
| 7325 | | ax.apply_aspect() |
| 7326 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7327 | | packages/matplotlib/axes/_base.py", line 1890, in apply_aspect |
| 7328 | | pb1 = pb.shrunk_to_aspect(box_aspect, pb, fig_aspect) |
| 7329 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7330 | | packages/matplotlib/transforms.py", line 558, in shrunk_to_aspect |
| 7331 | | raise ValueError("'box_aspect' and 'fig_aspect' must be positive") |
| 7332 | | ValueError: 'box_aspect' and 'fig_aspect' must be positive |
| 7333 | | |
| 7334 | | > isolde pepflip sel |
| 7335 | | |
| 7336 | | Flipping the peptide bond for 1 residues |
| 7337 | | |
| 7338 | | > ui tool show "Ramachandran Plot" |
| 7339 | | |
| 7340 | | > select clear |
| 7341 | | |
| 7342 | | [Repeated 1 time(s)] |
| 7343 | | |
| 7344 | | > ui tool show "Ramachandran Plot" |
| 7345 | | |
| 7346 | | > isolde pepflip sel |
| 7347 | | |
| 7348 | | Flipping the peptide bond for 1 residues |
| 7349 | | |
| 7350 | | > ui tool show "Ramachandran Plot" |
| 7351 | | |
| 7352 | | > isolde pepflip sel |
| 7353 | | |
| 7354 | | Flipping the peptide bond for 1 residues |
| 7355 | | |
| 7356 | | > isolde pepflip sel |
| 7357 | | |
| 7358 | | Flipping the peptide bond for 1 residues |
| 7359 | | |
| 7360 | | > select clear |
| 7361 | | |
| 7362 | | [Repeated 3 time(s)] |
| 7363 | | |
| 7364 | | > ui tool show "Ramachandran Plot" |
| 7365 | | |
| 7366 | | > isolde pepflip sel |
| 7367 | | |
| 7368 | | Flipping the peptide bond for 1 residues |
| 7369 | | |
| 7370 | | > select clear |
| 7371 | | |
| 7372 | | > ui tool show "Ramachandran Plot" |
| 7373 | | |
| 7374 | | > select #1/h |
| 7375 | | |
| 7376 | | 2451 atoms, 2474 bonds, 153 residues, 1 model selected |
| 7377 | | |
| 7378 | | > select clear |
| 7379 | | |
| 7380 | | Traceback (most recent call last): |
| 7381 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7382 | | packages/matplotlib/cbook/__init__.py", line 287, in process |
| 7383 | | func(*args, **kwargs) |
| 7384 | | File "/srv/home/leonardo/.local/share/ChimeraX/1.4/site- |
| 7385 | | packages/chimerax/isolde/validation/ramaplot/ramaplot.py", line 292, in |
| 7386 | | on_resize |
| 7387 | | c.draw() |
| 7388 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7389 | | packages/matplotlib/backends/backend_agg.py", line 436, in draw |
| 7390 | | self.figure.draw(self.renderer) |
| 7391 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7392 | | packages/matplotlib/artist.py", line 73, in draw_wrapper |
| 7393 | | result = draw(artist, renderer, *args, **kwargs) |
| 7394 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7395 | | packages/matplotlib/artist.py", line 50, in draw_wrapper |
| 7396 | | return draw(artist, renderer) |
| 7397 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7398 | | packages/matplotlib/figure.py", line 2796, in draw |
| 7399 | | artists = self._get_draw_artists(renderer) |
| 7400 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7401 | | packages/matplotlib/figure.py", line 238, in _get_draw_artists |
| 7402 | | ax.apply_aspect() |
| 7403 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7404 | | packages/matplotlib/axes/_base.py", line 1890, in apply_aspect |
| 7405 | | pb1 = pb.shrunk_to_aspect(box_aspect, pb, fig_aspect) |
| 7406 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7407 | | packages/matplotlib/transforms.py", line 558, in shrunk_to_aspect |
| 7408 | | raise ValueError("'box_aspect' and 'fig_aspect' must be positive") |
| 7409 | | ValueError: 'box_aspect' and 'fig_aspect' must be positive |
| 7410 | | |
| 7411 | | > select #1/h |
| 7412 | | |
| 7413 | | 2451 atoms, 2474 bonds, 153 residues, 1 model selected |
| 7414 | | |
| 7415 | | > select #1/h |
| 7416 | | |
| 7417 | | 2451 atoms, 2474 bonds, 153 residues, 1 model selected |
| 7418 | | |
| 7419 | | > ui tool show "Ramachandran Plot" |
| 7420 | | |
| 7421 | | > select clear |
| 7422 | | |
| 7423 | | [Repeated 1 time(s)] |
| 7424 | | |
| 7425 | | > ui tool show "Ramachandran Plot" |
| 7426 | | |
| 7427 | | Traceback (most recent call last): |
| 7428 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7429 | | packages/matplotlib/cbook/__init__.py", line 287, in process |
| 7430 | | func(*args, **kwargs) |
| 7431 | | File "/srv/home/leonardo/.local/share/ChimeraX/1.4/site- |
| 7432 | | packages/chimerax/isolde/validation/ramaplot/ramaplot.py", line 292, in |
| 7433 | | on_resize |
| 7434 | | c.draw() |
| 7435 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7436 | | packages/matplotlib/backends/backend_agg.py", line 436, in draw |
| 7437 | | self.figure.draw(self.renderer) |
| 7438 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7439 | | packages/matplotlib/artist.py", line 73, in draw_wrapper |
| 7440 | | result = draw(artist, renderer, *args, **kwargs) |
| 7441 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7442 | | packages/matplotlib/artist.py", line 50, in draw_wrapper |
| 7443 | | return draw(artist, renderer) |
| 7444 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7445 | | packages/matplotlib/figure.py", line 2796, in draw |
| 7446 | | artists = self._get_draw_artists(renderer) |
| 7447 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7448 | | packages/matplotlib/figure.py", line 238, in _get_draw_artists |
| 7449 | | ax.apply_aspect() |
| 7450 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7451 | | packages/matplotlib/axes/_base.py", line 1890, in apply_aspect |
| 7452 | | pb1 = pb.shrunk_to_aspect(box_aspect, pb, fig_aspect) |
| 7453 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7454 | | packages/matplotlib/transforms.py", line 558, in shrunk_to_aspect |
| 7455 | | raise ValueError("'box_aspect' and 'fig_aspect' must be positive") |
| 7456 | | ValueError: 'box_aspect' and 'fig_aspect' must be positive |
| 7457 | | |
| 7458 | | > isolde pepflip sel |
| 7459 | | |
| 7460 | | Flipping the peptide bond for 1 residues |
| 7461 | | |
| 7462 | | > select clear |
| 7463 | | |
| 7464 | | > ui tool show "Ramachandran Plot" |
| 7465 | | |
| 7466 | | [Repeated 1 time(s)] |
| 7467 | | |
| 7468 | | > isolde pepflip sel |
| 7469 | | |
| 7470 | | Flipping the peptide bond for 1 residues |
| 7471 | | |
| 7472 | | > ui tool show "Ramachandran Plot" |
| 7473 | | |
| 7474 | | > select clear |
| 7475 | | |
| 7476 | | > ui tool show "Ramachandran Plot" |
| 7477 | | |
| 7478 | | > select clear |
| 7479 | | |
| 7480 | | [Repeated 1 time(s)] |
| 7481 | | |
| 7482 | | > ui tool show "Ramachandran Plot" |
| 7483 | | |
| 7484 | | [Repeated 2 time(s)]Traceback (most recent call last): |
| 7485 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7486 | | packages/matplotlib/cbook/__init__.py", line 287, in process |
| 7487 | | func(*args, **kwargs) |
| 7488 | | File "/srv/home/leonardo/.local/share/ChimeraX/1.4/site- |
| 7489 | | packages/chimerax/isolde/validation/ramaplot/ramaplot.py", line 292, in |
| 7490 | | on_resize |
| 7491 | | c.draw() |
| 7492 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7493 | | packages/matplotlib/backends/backend_agg.py", line 436, in draw |
| 7494 | | self.figure.draw(self.renderer) |
| 7495 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7496 | | packages/matplotlib/artist.py", line 73, in draw_wrapper |
| 7497 | | result = draw(artist, renderer, *args, **kwargs) |
| 7498 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7499 | | packages/matplotlib/artist.py", line 50, in draw_wrapper |
| 7500 | | return draw(artist, renderer) |
| 7501 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7502 | | packages/matplotlib/figure.py", line 2796, in draw |
| 7503 | | artists = self._get_draw_artists(renderer) |
| 7504 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7505 | | packages/matplotlib/figure.py", line 238, in _get_draw_artists |
| 7506 | | ax.apply_aspect() |
| 7507 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7508 | | packages/matplotlib/axes/_base.py", line 1890, in apply_aspect |
| 7509 | | pb1 = pb.shrunk_to_aspect(box_aspect, pb, fig_aspect) |
| 7510 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7511 | | packages/matplotlib/transforms.py", line 558, in shrunk_to_aspect |
| 7512 | | raise ValueError("'box_aspect' and 'fig_aspect' must be positive") |
| 7513 | | ValueError: 'box_aspect' and 'fig_aspect' must be positive |
| 7514 | | |
| 7515 | | > isolde pepflip sel |
| 7516 | | |
| 7517 | | Flipping the peptide bond for 1 residues |
| 7518 | | Traceback (most recent call last): |
| 7519 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7520 | | packages/matplotlib/cbook/__init__.py", line 287, in process |
| 7521 | | func(*args, **kwargs) |
| 7522 | | File "/srv/home/leonardo/.local/share/ChimeraX/1.4/site- |
| 7523 | | packages/chimerax/isolde/validation/ramaplot/ramaplot.py", line 292, in |
| 7524 | | on_resize |
| 7525 | | c.draw() |
| 7526 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7527 | | packages/matplotlib/backends/backend_agg.py", line 436, in draw |
| 7528 | | self.figure.draw(self.renderer) |
| 7529 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7530 | | packages/matplotlib/artist.py", line 73, in draw_wrapper |
| 7531 | | result = draw(artist, renderer, *args, **kwargs) |
| 7532 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7533 | | packages/matplotlib/artist.py", line 50, in draw_wrapper |
| 7534 | | return draw(artist, renderer) |
| 7535 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7536 | | packages/matplotlib/figure.py", line 2796, in draw |
| 7537 | | artists = self._get_draw_artists(renderer) |
| 7538 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7539 | | packages/matplotlib/figure.py", line 238, in _get_draw_artists |
| 7540 | | ax.apply_aspect() |
| 7541 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7542 | | packages/matplotlib/axes/_base.py", line 1890, in apply_aspect |
| 7543 | | pb1 = pb.shrunk_to_aspect(box_aspect, pb, fig_aspect) |
| 7544 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7545 | | packages/matplotlib/transforms.py", line 558, in shrunk_to_aspect |
| 7546 | | raise ValueError("'box_aspect' and 'fig_aspect' must be positive") |
| 7547 | | ValueError: 'box_aspect' and 'fig_aspect' must be positive |
| 7548 | | |
| 7549 | | > isolde pepflip sel |
| 7550 | | |
| 7551 | | Flipping the peptide bond for 1 residues |
| 7552 | | |
| 7553 | | > isolde sim stop |
| 7554 | | |
| 7555 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 7556 | | chains... |
| 7557 | | ISOLDE: Corrected atom nomenclature of 13 residues in model #1.2 to IUPAC-IUB |
| 7558 | | standards. |
| 7559 | | ISOLDE: stopped sim |
| 7560 | | |
| 7561 | | > select #1/h |
| 7562 | | |
| 7563 | | 2451 atoms, 2474 bonds, 153 residues, 1 model selected |
| 7564 | | |
| 7565 | | > isolde sim start sel |
| 7566 | | |
| 7567 | | ISOLDE: started sim |
| 7568 | | |
| 7569 | | > ui tool show "Ramachandran Plot" |
| 7570 | | |
| 7571 | | [Repeated 1 time(s)] |
| 7572 | | |
| 7573 | | > isolde sim pause |
| 7574 | | |
| 7575 | | > isolde sim resume |
| 7576 | | |
| 7577 | | > ui tool show "Ramachandran Plot" |
| 7578 | | |
| 7579 | | > select clear |
| 7580 | | |
| 7581 | | > isolde pepflip sel |
| 7582 | | |
| 7583 | | Flipping the peptide bond for 1 residues |
| 7584 | | |
| 7585 | | > isolde pepflip sel |
| 7586 | | |
| 7587 | | Flipping the peptide bond for 1 residues |
| 7588 | | |
| 7589 | | > isolde pepflip sel |
| 7590 | | |
| 7591 | | Flipping the peptide bond for 1 residues |
| 7592 | | |
| 7593 | | > isolde pepflip sel |
| 7594 | | |
| 7595 | | Flipping the peptide bond for 1 residues |
| 7596 | | |
| 7597 | | > isolde pepflip sel |
| 7598 | | |
| 7599 | | Flipping the peptide bond for 1 residues |
| 7600 | | |
| 7601 | | > isolde pepflip sel |
| 7602 | | |
| 7603 | | Flipping the peptide bond for 1 residues |
| 7604 | | Unable to flip peptide bond after 50 rounds. Giving up. |
| 7605 | | |
| 7606 | | > select clear |
| 7607 | | |
| 7608 | | [Repeated 1 time(s)]Unable to flip peptide bond after 50 rounds. Giving up. |
| 7609 | | |
| 7610 | | > isolde pepflip sel |
| 7611 | | |
| 7612 | | Flipping the peptide bond for 1 residues |
| 7613 | | |
| 7614 | | > select #1/h |
| 7615 | | |
| 7616 | | 2451 atoms, 2474 bonds, 153 residues, 1 model selected |
| 7617 | | |
| 7618 | | > select clear |
| 7619 | | |
| 7620 | | > isolde sim pause |
| 7621 | | |
| 7622 | | > isolde sim resume |
| 7623 | | |
| 7624 | | > ui tool show "Ramachandran Plot" |
| 7625 | | |
| 7626 | | > isolde pepflip sel |
| 7627 | | |
| 7628 | | Flipping the peptide bond for 1 residues |
| 7629 | | |
| 7630 | | > isolde pepflip sel |
| 7631 | | |
| 7632 | | Flipping the peptide bond for 1 residues |
| 7633 | | |
| 7634 | | > isolde pepflip sel |
| 7635 | | |
| 7636 | | Flipping the peptide bond for 1 residues |
| 7637 | | |
| 7638 | | > select clear |
| 7639 | | |
| 7640 | | Unable to flip peptide bond after 50 rounds. Giving up. |
| 7641 | | |
| 7642 | | > isolde pepflip sel |
| 7643 | | |
| 7644 | | Flipping the peptide bond for 1 residues |
| 7645 | | |
| 7646 | | > isolde pepflip sel |
| 7647 | | |
| 7648 | | Flipping the peptide bond for 1 residues |
| 7649 | | |
| 7650 | | > isolde pepflip sel |
| 7651 | | |
| 7652 | | Flipping the peptide bond for 1 residues |
| 7653 | | |
| 7654 | | > select clear |
| 7655 | | |
| 7656 | | > select #1/h |
| 7657 | | |
| 7658 | | 2451 atoms, 2474 bonds, 153 residues, 1 model selected |
| 7659 | | |
| 7660 | | > ui tool show "Ramachandran Plot" |
| 7661 | | |
| 7662 | | > select clear |
| 7663 | | |
| 7664 | | > ui tool show "Ramachandran Plot" |
| 7665 | | |
| 7666 | | > select clear |
| 7667 | | |
| 7668 | | > ui tool show "Ramachandran Plot" |
| 7669 | | |
| 7670 | | > select clear |
| 7671 | | |
| 7672 | | > ui tool show "Ramachandran Plot" |
| 7673 | | |
| 7674 | | > isolde pepflip sel |
| 7675 | | |
| 7676 | | Flipping the peptide bond for 1 residues |
| 7677 | | |
| 7678 | | > isolde pepflip sel |
| 7679 | | |
| 7680 | | Flipping the peptide bond for 1 residues |
| 7681 | | |
| 7682 | | > isolde pepflip sel |
| 7683 | | |
| 7684 | | Flipping the peptide bond for 1 residues |
| 7685 | | Unable to flip peptide bond after 50 rounds. Giving up. |
| 7686 | | |
| 7687 | | > select clear |
| 7688 | | |
| 7689 | | > ui tool show "Ramachandran Plot" |
| 7690 | | |
| 7691 | | > isolde pepflip sel |
| 7692 | | |
| 7693 | | Flipping the peptide bond for 1 residues |
| 7694 | | |
| 7695 | | > isolde pepflip sel |
| 7696 | | |
| 7697 | | Flipping the peptide bond for 1 residues |
| 7698 | | |
| 7699 | | > select clear |
| 7700 | | |
| 7701 | | > ui tool show "Ramachandran Plot" |
| 7702 | | |
| 7703 | | > isolde pepflip sel |
| 7704 | | |
| 7705 | | Flipping the peptide bond for 1 residues |
| 7706 | | |
| 7707 | | > isolde pepflip sel |
| 7708 | | |
| 7709 | | Flipping the peptide bond for 1 residues |
| 7710 | | |
| 7711 | | > isolde pepflip sel |
| 7712 | | |
| 7713 | | Flipping the peptide bond for 1 residues |
| 7714 | | |
| 7715 | | > isolde pepflip sel |
| 7716 | | |
| 7717 | | Flipping the peptide bond for 1 residues |
| 7718 | | Unable to flip peptide bond after 50 rounds. Giving up. |
| 7719 | | |
| 7720 | | > isolde pepflip sel |
| 7721 | | |
| 7722 | | Flipping the peptide bond for 1 residues |
| 7723 | | Traceback (most recent call last): |
| 7724 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7725 | | packages/matplotlib/cbook/__init__.py", line 287, in process |
| 7726 | | func(*args, **kwargs) |
| 7727 | | File "/srv/home/leonardo/.local/share/ChimeraX/1.4/site- |
| 7728 | | packages/chimerax/isolde/validation/ramaplot/ramaplot.py", line 292, in |
| 7729 | | on_resize |
| 7730 | | c.draw() |
| 7731 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7732 | | packages/matplotlib/backends/backend_agg.py", line 436, in draw |
| 7733 | | self.figure.draw(self.renderer) |
| 7734 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7735 | | packages/matplotlib/artist.py", line 73, in draw_wrapper |
| 7736 | | result = draw(artist, renderer, *args, **kwargs) |
| 7737 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7738 | | packages/matplotlib/artist.py", line 50, in draw_wrapper |
| 7739 | | return draw(artist, renderer) |
| 7740 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7741 | | packages/matplotlib/figure.py", line 2796, in draw |
| 7742 | | artists = self._get_draw_artists(renderer) |
| 7743 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7744 | | packages/matplotlib/figure.py", line 238, in _get_draw_artists |
| 7745 | | ax.apply_aspect() |
| 7746 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7747 | | packages/matplotlib/axes/_base.py", line 1890, in apply_aspect |
| 7748 | | pb1 = pb.shrunk_to_aspect(box_aspect, pb, fig_aspect) |
| 7749 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7750 | | packages/matplotlib/transforms.py", line 558, in shrunk_to_aspect |
| 7751 | | raise ValueError("'box_aspect' and 'fig_aspect' must be positive") |
| 7752 | | ValueError: 'box_aspect' and 'fig_aspect' must be positive |
| 7753 | | Unable to flip peptide bond after 50 rounds. Giving up. |
| 7754 | | |
| 7755 | | > isolde sim pause |
| 7756 | | |
| 7757 | | > isolde sim resume |
| 7758 | | |
| 7759 | | > ui tool show "Ramachandran Plot" |
| 7760 | | |
| 7761 | | Traceback (most recent call last): |
| 7762 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7763 | | packages/matplotlib/cbook/__init__.py", line 287, in process |
| 7764 | | func(*args, **kwargs) |
| 7765 | | File "/srv/home/leonardo/.local/share/ChimeraX/1.4/site- |
| 7766 | | packages/chimerax/isolde/validation/ramaplot/ramaplot.py", line 292, in |
| 7767 | | on_resize |
| 7768 | | c.draw() |
| 7769 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7770 | | packages/matplotlib/backends/backend_agg.py", line 436, in draw |
| 7771 | | self.figure.draw(self.renderer) |
| 7772 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7773 | | packages/matplotlib/artist.py", line 73, in draw_wrapper |
| 7774 | | result = draw(artist, renderer, *args, **kwargs) |
| 7775 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7776 | | packages/matplotlib/artist.py", line 50, in draw_wrapper |
| 7777 | | return draw(artist, renderer) |
| 7778 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7779 | | packages/matplotlib/figure.py", line 2796, in draw |
| 7780 | | artists = self._get_draw_artists(renderer) |
| 7781 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7782 | | packages/matplotlib/figure.py", line 238, in _get_draw_artists |
| 7783 | | ax.apply_aspect() |
| 7784 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7785 | | packages/matplotlib/axes/_base.py", line 1890, in apply_aspect |
| 7786 | | pb1 = pb.shrunk_to_aspect(box_aspect, pb, fig_aspect) |
| 7787 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 7788 | | packages/matplotlib/transforms.py", line 558, in shrunk_to_aspect |
| 7789 | | raise ValueError("'box_aspect' and 'fig_aspect' must be positive") |
| 7790 | | ValueError: 'box_aspect' and 'fig_aspect' must be positive |
| 7791 | | |
| 7792 | | > select clear |
| 7793 | | |
| 7794 | | > ui tool show "Ramachandran Plot" |
| 7795 | | |
| 7796 | | > select clear |
| 7797 | | |
| 7798 | | > style #1/h:84|/h:125 sphere |
| 7799 | | |
| 7800 | | Changed 39 atom styles |
| 7801 | | |
| 7802 | | > style #1/h:84|/h:125 stick |
| 7803 | | |
| 7804 | | Changed 39 atom styles |
| 7805 | | |
| 7806 | | > ui tool show "Ramachandran Plot" |
| 7807 | | |
| 7808 | | [Repeated 1 time(s)] |
| 7809 | | |
| 7810 | | > isolde sim stop |
| 7811 | | |
| 7812 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 7813 | | chains... |
| 7814 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 7815 | | standards. |
| 7816 | | ISOLDE: stopped sim |
| 7817 | | |
| 7818 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 7819 | | > mut8-no-C-ter/18-KSRP-no-C-ter-Step1-SevententhSubsteps-POST-FIRST-SIM-ANN- |
| 7820 | | > KSRP.cxs |
| 7821 | | |
| 7822 | | Taking snapshot of stepper: 5opt-concatenated-Map-Mut8-40S-noCter.pdb |
| 7823 | | |
| 7824 | | ——— End of log from Fri Mar 24 14:43:56 2023 ——— |
| 7825 | | |
| 7826 | | opened ChimeraX session |
| 7827 | | |
| 7828 | | > isolde start |
| 7829 | | |
| 7830 | | > set selectionWidth 4 |
| 7831 | | |
| 7832 | | > isolde restrain ligands #1 |
| 7833 | | |
| 7834 | | > select clear |
| 7835 | | |
| 7836 | | > select #1/h |
| 7837 | | |
| 7838 | | 2451 atoms, 2474 bonds, 153 residues, 1 model selected |
| 7839 | | |
| 7840 | | > isolde sim start sel |
| 7841 | | |
| 7842 | | Launching using CUDA failed with the below message. Falling back to using |
| 7843 | | OpenCL. |
| 7844 | | |
| 7845 | | Error compiling program: nvrtc: error: invalid value for --gpu-architecture |
| 7846 | | (-arch) |
| 7847 | | |
| 7848 | | |
| 7849 | | ISOLDE: started sim |
| 7850 | | |
| 7851 | | > isolde sim stop discardTo start |
| 7852 | | |
| 7853 | | reverting to start |
| 7854 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 7855 | | chains... |
| 7856 | | ISOLDE: stopped sim |
| 7857 | | |
| 7858 | | > select #1/h |
| 7859 | | |
| 7860 | | 2451 atoms, 2474 bonds, 153 residues, 1 model selected |
| 7861 | | |
| 7862 | | > isolde sim start sel |
| 7863 | | |
| 7864 | | ISOLDE: started sim |
| 7865 | | |
| 7866 | | > isolde sim stop discardTo start |
| 7867 | | |
| 7868 | | reverting to start |
| 7869 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 7870 | | chains... |
| 7871 | | ISOLDE: stopped sim |
| 7872 | | |
| 7873 | | > select #1/h |
| 7874 | | |
| 7875 | | 2451 atoms, 2474 bonds, 153 residues, 1 model selected |
| 7876 | | |
| 7877 | | > isolde sim start sel |
| 7878 | | |
| 7879 | | ISOLDE: started sim |
| 7880 | | |
| 7881 | | > ui tool show "Ramachandran Plot" |
| 7882 | | |
| 7883 | | > select clear |
| 7884 | | |
| 7885 | | > ui tool show "Ramachandran Plot" |
| 7886 | | |
| 7887 | | [Repeated 2 time(s)] |
| 7888 | | |
| 7889 | | > isolde sim pause |
| 7890 | | |
| 7891 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 7892 | | > mut8-no-C-ter/19a-Test-KSRP-Env-System-on-the-middle-of- |
| 7893 | | > overFittingTo-6Times-densityField.pdb |
| 7894 | | |
| 7895 | | > isolde sim resume |
| 7896 | | |
| 7897 | | > ui tool show "Ramachandran Plot" |
| 7898 | | |
| 7899 | | [Repeated 1 time(s)] |
| 7900 | | |
| 7901 | | > isolde sim pause |
| 7902 | | |
| 7903 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 7904 | | > mut8-no-C-ter/19b-Test-KSRP-Env-System-on-the-overFittingTo-6Times- |
| 7905 | | > densityFieldSmoth-NoSmoth.pdb |
| 7906 | | |
| 7907 | | > isolde sim resume |
| 7908 | | |
| 7909 | | > ui tool show "Ramachandran Plot" |
| 7910 | | |
| 7911 | | [Repeated 4 time(s)] |
| 7912 | | |
| 7913 | | > isolde sim pause |
| 7914 | | |
| 7915 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 7916 | | > mut8-no-C-ter/19c-Test-KSRP-Env-System-After-the-overFittingTo-6Times-And- |
| 7917 | | > ComeBack-to-Default.pdb |
| 7918 | | |
| 7919 | | > isolde sim resume |
| 7920 | | |
| 7921 | | > ui tool show "Ramachandran Plot" |
| 7922 | | |
| 7923 | | [Repeated 3 time(s)] |
| 7924 | | |
| 7925 | | > select clear |
| 7926 | | |
| 7927 | | [Repeated 3 time(s)] |
| 7928 | | |
| 7929 | | > ui tool show "Ramachandran Plot" |
| 7930 | | |
| 7931 | | > isolde pepflip sel |
| 7932 | | |
| 7933 | | Flipping the peptide bond for 1 residues |
| 7934 | | |
| 7935 | | > ui tool show "Ramachandran Plot" |
| 7936 | | |
| 7937 | | > select clear |
| 7938 | | |
| 7939 | | > isolde pepflip sel |
| 7940 | | |
| 7941 | | Flipping the peptide bond for 1 residues |
| 7942 | | |
| 7943 | | > ui tool show "Ramachandran Plot" |
| 7944 | | |
| 7945 | | > select clear |
| 7946 | | |
| 7947 | | > isolde pepflip sel |
| 7948 | | |
| 7949 | | Flipping the peptide bond for 1 residues |
| 7950 | | |
| 7951 | | > ui tool show "Ramachandran Plot" |
| 7952 | | |
| 7953 | | > select clear |
| 7954 | | |
| 7955 | | > isolde pepflip sel |
| 7956 | | |
| 7957 | | Flipping the peptide bond for 1 residues |
| 7958 | | |
| 7959 | | > isolde pepflip sel |
| 7960 | | |
| 7961 | | Flipping the peptide bond for 1 residues |
| 7962 | | |
| 7963 | | > select clear |
| 7964 | | |
| 7965 | | > ui tool show "Ramachandran Plot" |
| 7966 | | |
| 7967 | | [Repeated 3 time(s)] |
| 7968 | | |
| 7969 | | > isolde pepflip sel |
| 7970 | | |
| 7971 | | Flipping the peptide bond for 1 residues |
| 7972 | | |
| 7973 | | > ui tool show "Ramachandran Plot" |
| 7974 | | |
| 7975 | | > select clear |
| 7976 | | |
| 7977 | | > ui tool show "Ramachandran Plot" |
| 7978 | | |
| 7979 | | > select clear |
| 7980 | | |
| 7981 | | > isolde pepflip sel |
| 7982 | | |
| 7983 | | Flipping the peptide bond for 1 residues |
| 7984 | | |
| 7985 | | > select clear |
| 7986 | | |
| 7987 | | > isolde pepflip sel |
| 7988 | | |
| 7989 | | Flipping the peptide bond for 1 residues |
| 7990 | | |
| 7991 | | > ui tool show "Ramachandran Plot" |
| 7992 | | |
| 7993 | | > select clear |
| 7994 | | |
| 7995 | | [Repeated 1 time(s)] |
| 7996 | | |
| 7997 | | > ui tool show "Ramachandran Plot" |
| 7998 | | |
| 7999 | | > isolde pepflip sel |
| 8000 | | |
| 8001 | | Flipping the peptide bond for 1 residues |
| 8002 | | |
| 8003 | | > isolde pepflip sel |
| 8004 | | |
| 8005 | | Flipping the peptide bond for 1 residues |
| 8006 | | |
| 8007 | | > select clear |
| 8008 | | |
| 8009 | | > ui tool show "Ramachandran Plot" |
| 8010 | | |
| 8011 | | [Repeated 1 time(s)] |
| 8012 | | |
| 8013 | | > select clear |
| 8014 | | |
| 8015 | | > ui tool show "Ramachandran Plot" |
| 8016 | | |
| 8017 | | > select clear |
| 8018 | | |
| 8019 | | > isolde pepflip sel |
| 8020 | | |
| 8021 | | Flipping the peptide bond for 1 residues |
| 8022 | | |
| 8023 | | > select clear |
| 8024 | | |
| 8025 | | > ui tool show "Ramachandran Plot" |
| 8026 | | |
| 8027 | | [Repeated 1 time(s)] |
| 8028 | | |
| 8029 | | > isolde pepflip sel |
| 8030 | | |
| 8031 | | Flipping the peptide bond for 1 residues |
| 8032 | | |
| 8033 | | > select clear |
| 8034 | | |
| 8035 | | > ui tool show "Ramachandran Plot" |
| 8036 | | |
| 8037 | | > select clear |
| 8038 | | |
| 8039 | | [Repeated 3 time(s)] |
| 8040 | | |
| 8041 | | > isolde pepflip sel |
| 8042 | | |
| 8043 | | Flipping the peptide bond for 1 residues |
| 8044 | | |
| 8045 | | > isolde pepflip sel |
| 8046 | | |
| 8047 | | Flipping the peptide bond for 1 residues |
| 8048 | | |
| 8049 | | > ui tool show "Ramachandran Plot" |
| 8050 | | |
| 8051 | | [Repeated 1 time(s)] |
| 8052 | | |
| 8053 | | > isolde pepflip sel |
| 8054 | | |
| 8055 | | Flipping the peptide bond for 1 residues |
| 8056 | | |
| 8057 | | > select clear |
| 8058 | | |
| 8059 | | > ui tool show "Ramachandran Plot" |
| 8060 | | |
| 8061 | | [Repeated 2 time(s)] |
| 8062 | | |
| 8063 | | > select clear |
| 8064 | | |
| 8065 | | > ui tool show "Ramachandran Plot" |
| 8066 | | |
| 8067 | | [Repeated 1 time(s)] |
| 8068 | | |
| 8069 | | > isolde pepflip sel |
| 8070 | | |
| 8071 | | Flipping the peptide bond for 1 residues |
| 8072 | | |
| 8073 | | > select clear |
| 8074 | | |
| 8075 | | [Repeated 1 time(s)] |
| 8076 | | |
| 8077 | | > isolde pepflip sel |
| 8078 | | |
| 8079 | | Flipping the peptide bond for 1 residues |
| 8080 | | |
| 8081 | | > select clear |
| 8082 | | |
| 8083 | | > isolde pepflip sel |
| 8084 | | |
| 8085 | | Flipping the peptide bond for 1 residues |
| 8086 | | |
| 8087 | | > ui tool show "Ramachandran Plot" |
| 8088 | | |
| 8089 | | [Repeated 1 time(s)]Traceback (most recent call last): |
| 8090 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 8091 | | packages/matplotlib/cbook/__init__.py", line 287, in process |
| 8092 | | func(*args, **kwargs) |
| 8093 | | File "/srv/home/leonardo/.local/share/ChimeraX/1.4/site- |
| 8094 | | packages/chimerax/isolde/validation/ramaplot/ramaplot.py", line 292, in |
| 8095 | | on_resize |
| 8096 | | c.draw() |
| 8097 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 8098 | | packages/matplotlib/backends/backend_agg.py", line 436, in draw |
| 8099 | | self.figure.draw(self.renderer) |
| 8100 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 8101 | | packages/matplotlib/artist.py", line 73, in draw_wrapper |
| 8102 | | result = draw(artist, renderer, *args, **kwargs) |
| 8103 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 8104 | | packages/matplotlib/artist.py", line 50, in draw_wrapper |
| 8105 | | return draw(artist, renderer) |
| 8106 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 8107 | | packages/matplotlib/figure.py", line 2796, in draw |
| 8108 | | artists = self._get_draw_artists(renderer) |
| 8109 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 8110 | | packages/matplotlib/figure.py", line 238, in _get_draw_artists |
| 8111 | | ax.apply_aspect() |
| 8112 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 8113 | | packages/matplotlib/axes/_base.py", line 1890, in apply_aspect |
| 8114 | | pb1 = pb.shrunk_to_aspect(box_aspect, pb, fig_aspect) |
| 8115 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 8116 | | packages/matplotlib/transforms.py", line 558, in shrunk_to_aspect |
| 8117 | | raise ValueError("'box_aspect' and 'fig_aspect' must be positive") |
| 8118 | | ValueError: 'box_aspect' and 'fig_aspect' must be positive |
| 8119 | | |
| 8120 | | > select clear |
| 8121 | | |
| 8122 | | [Repeated 2 time(s)] |
| 8123 | | |
| 8124 | | > ui tool show "Ramachandran Plot" |
| 8125 | | |
| 8126 | | [Repeated 2 time(s)] |
| 8127 | | |
| 8128 | | > select clear |
| 8129 | | |
| 8130 | | > ui tool show "Ramachandran Plot" |
| 8131 | | |
| 8132 | | > select clear |
| 8133 | | |
| 8134 | | [Repeated 1 time(s)] |
| 8135 | | |
| 8136 | | > ui tool show "Ramachandran Plot" |
| 8137 | | |
| 8138 | | > select clear |
| 8139 | | |
| 8140 | | > ui tool show "Ramachandran Plot" |
| 8141 | | |
| 8142 | | > isolde sim stop |
| 8143 | | |
| 8144 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 8145 | | chains... |
| 8146 | | ISOLDE: Corrected atom nomenclature of 4 residues in model #1.2 to IUPAC-IUB |
| 8147 | | standards. |
| 8148 | | ISOLDE: stopped sim |
| 8149 | | |
| 8150 | | > ui tool show "Ramachandran Plot" |
| 8151 | | |
| 8152 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 8153 | | > mut8-no-C-ter/20-KSRP-no-C-ter-Step1-After-OverFitting_Yes-not_Refining- |
| 8154 | | > KSRP.pdb |
| 8155 | | |
| 8156 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 8157 | | > mut8-no-C-ter/20-KSRP-no-C-ter-Step1-After-OverFitting_Yes-not_Refining- |
| 8158 | | > KSRP.cxs |
| 8159 | | |
| 8160 | | Taking snapshot of stepper: 5opt-concatenated-Map-Mut8-40S-noCter.pdb |
| 8161 | | |
| 8162 | | ——— End of log from Mon Mar 27 09:38:45 2023 ——— |
| 8163 | | |
| 8164 | | opened ChimeraX session |
| 8165 | | |
| 8166 | | > isolde start |
| 8167 | | |
| 8168 | | > ui tool show "Ramachandran Plot" |
| 8169 | | |
| 8170 | | > view #1/P:240-249 |
| 8171 | | |
| 8172 | | > select #1/P:240-249 |
| 8173 | | |
| 8174 | | 168 atoms, 168 bonds, 10 residues, 1 model selected |
| 8175 | | |
| 8176 | | > isolde sim start sel |
| 8177 | | |
| 8178 | | ISOLDE: started sim |
| 8179 | | |
| 8180 | | > isolde sim stop discardTo start |
| 8181 | | |
| 8182 | | reverting to start |
| 8183 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 8184 | | chains... |
| 8185 | | ISOLDE: stopped sim |
| 8186 | | |
| 8187 | | > select #1/P:240-249 |
| 8188 | | |
| 8189 | | 168 atoms, 168 bonds, 10 residues, 1 model selected |
| 8190 | | |
| 8191 | | > isolde sim start sel |
| 8192 | | |
| 8193 | | ISOLDE: started sim |
| 8194 | | |
| 8195 | | > isolde sim stop discardTo start |
| 8196 | | |
| 8197 | | reverting to start |
| 8198 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 8199 | | chains... |
| 8200 | | ISOLDE: stopped sim |
| 8201 | | |
| 8202 | | > select #1/P:240-249 |
| 8203 | | |
| 8204 | | 168 atoms, 168 bonds, 10 residues, 1 model selected |
| 8205 | | |
| 8206 | | > isolde sim start sel |
| 8207 | | |
| 8208 | | ISOLDE: started sim |
| 8209 | | |
| 8210 | | > isolde sim stop discardTo start |
| 8211 | | |
| 8212 | | reverting to start |
| 8213 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 8214 | | chains... |
| 8215 | | ISOLDE: stopped sim |
| 8216 | | |
| 8217 | | > ui tool show "Ramachandran Plot" |
| 8218 | | |
| 8219 | | > select clear |
| 8220 | | |
| 8221 | | > isolde sim start sel |
| 8222 | | |
| 8223 | | ISOLDE: started sim |
| 8224 | | |
| 8225 | | > isolde sim stop discardTo start |
| 8226 | | |
| 8227 | | reverting to start |
| 8228 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 8229 | | chains... |
| 8230 | | ISOLDE: stopped sim |
| 8231 | | |
| 8232 | | > select #1/V:92 |
| 8233 | | |
| 8234 | | 10 atoms, 9 bonds, 1 residue, 1 model selected |
| 8235 | | |
| 8236 | | > isolde sim start sel |
| 8237 | | |
| 8238 | | ISOLDE: started sim |
| 8239 | | |
| 8240 | | > isolde pepflip sel |
| 8241 | | |
| 8242 | | Flipping the peptide bond for 1 residues |
| 8243 | | |
| 8244 | | > select clear |
| 8245 | | |
| 8246 | | > isolde pepflip sel |
| 8247 | | |
| 8248 | | Flipping the peptide bond for 1 residues |
| 8249 | | |
| 8250 | | > select clear |
| 8251 | | |
| 8252 | | > ui tool show "Ramachandran Plot" |
| 8253 | | |
| 8254 | | [Repeated 1 time(s)] |
| 8255 | | |
| 8256 | | > isolde sim stop |
| 8257 | | |
| 8258 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 8259 | | chains... |
| 8260 | | ISOLDE: Corrected atom nomenclature of 2 residues in model #1.2 to IUPAC-IUB |
| 8261 | | standards. |
| 8262 | | ISOLDE: stopped sim |
| 8263 | | |
| 8264 | | > isolde sim start sel |
| 8265 | | |
| 8266 | | ISOLDE: started sim |
| 8267 | | |
| 8268 | | > ui tool show "Ramachandran Plot" |
| 8269 | | |
| 8270 | | > isolde pepflip sel |
| 8271 | | |
| 8272 | | Flipping the peptide bond for 1 residues |
| 8273 | | |
| 8274 | | > select clear |
| 8275 | | |
| 8276 | | > ui tool show "Ramachandran Plot" |
| 8277 | | |
| 8278 | | > isolde sim stop |
| 8279 | | |
| 8280 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 8281 | | chains... |
| 8282 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 8283 | | standards. |
| 8284 | | ISOLDE: stopped sim |
| 8285 | | |
| 8286 | | > isolde sim start sel |
| 8287 | | |
| 8288 | | ISOLDE: started sim |
| 8289 | | |
| 8290 | | > select clear |
| 8291 | | |
| 8292 | | > isolde pepflip sel |
| 8293 | | |
| 8294 | | Flipping the peptide bond for 1 residues |
| 8295 | | |
| 8296 | | > ui tool show "Ramachandran Plot" |
| 8297 | | |
| 8298 | | [Repeated 1 time(s)] |
| 8299 | | |
| 8300 | | > isolde sim stop |
| 8301 | | |
| 8302 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 8303 | | chains... |
| 8304 | | ISOLDE: Corrected atom nomenclature of 2 residues in model #1.2 to IUPAC-IUB |
| 8305 | | standards. |
| 8306 | | ISOLDE: stopped sim |
| 8307 | | |
| 8308 | | > view #1/V:92 |
| 8309 | | |
| 8310 | | > select #1/V:92 |
| 8311 | | |
| 8312 | | 10 atoms, 9 bonds, 1 residue, 1 model selected |
| 8313 | | |
| 8314 | | > isolde sim start sel |
| 8315 | | |
| 8316 | | ISOLDE: started sim |
| 8317 | | |
| 8318 | | > ui tool show "Ramachandran Plot" |
| 8319 | | |
| 8320 | | > isolde pepflip sel |
| 8321 | | |
| 8322 | | Flipping the peptide bond for 1 residues |
| 8323 | | |
| 8324 | | > isolde pepflip sel |
| 8325 | | |
| 8326 | | Flipping the peptide bond for 1 residues |
| 8327 | | |
| 8328 | | > select clear |
| 8329 | | |
| 8330 | | > isolde pepflip sel |
| 8331 | | |
| 8332 | | Flipping the peptide bond for 1 residues |
| 8333 | | |
| 8334 | | > select clear |
| 8335 | | |
| 8336 | | > ui tool show "Ramachandran Plot" |
| 8337 | | |
| 8338 | | > isolde sim stop |
| 8339 | | |
| 8340 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 8341 | | chains... |
| 8342 | | ISOLDE: stopped sim |
| 8343 | | |
| 8344 | | > ui tool show "Ramachandran Plot" |
| 8345 | | |
| 8346 | | > isolde sim start sel |
| 8347 | | |
| 8348 | | ISOLDE: started sim |
| 8349 | | |
| 8350 | | > ui tool show "Ramachandran Plot" |
| 8351 | | |
| 8352 | | > select clear |
| 8353 | | |
| 8354 | | > ui tool show "Ramachandran Plot" |
| 8355 | | |
| 8356 | | > isolde pepflip sel |
| 8357 | | |
| 8358 | | Flipping the peptide bond for 1 residues |
| 8359 | | |
| 8360 | | > select clear |
| 8361 | | |
| 8362 | | > isolde pepflip sel |
| 8363 | | |
| 8364 | | Flipping the peptide bond for 1 residues |
| 8365 | | |
| 8366 | | > isolde pepflip sel |
| 8367 | | |
| 8368 | | Flipping the peptide bond for 1 residues |
| 8369 | | |
| 8370 | | > ui tool show "Ramachandran Plot" |
| 8371 | | |
| 8372 | | > select clear |
| 8373 | | |
| 8374 | | [Repeated 1 time(s)] |
| 8375 | | |
| 8376 | | > isolde pepflip sel |
| 8377 | | |
| 8378 | | Flipping the peptide bond for 1 residues |
| 8379 | | |
| 8380 | | > isolde pepflip sel |
| 8381 | | |
| 8382 | | Flipping the peptide bond for 1 residues |
| 8383 | | |
| 8384 | | > select clear |
| 8385 | | |
| 8386 | | > ui tool show "Ramachandran Plot" |
| 8387 | | |
| 8388 | | > isolde pepflip sel |
| 8389 | | |
| 8390 | | Flipping the peptide bond for 1 residues |
| 8391 | | |
| 8392 | | > select clear |
| 8393 | | |
| 8394 | | [Repeated 1 time(s)] |
| 8395 | | |
| 8396 | | > ui tool show "Ramachandran Plot" |
| 8397 | | |
| 8398 | | > style #1/i:72|/i:75 sphere |
| 8399 | | |
| 8400 | | Changed 37 atom styles |
| 8401 | | |
| 8402 | | > style #1/i:72|/i:75 stick |
| 8403 | | |
| 8404 | | Changed 37 atom styles |
| 8405 | | |
| 8406 | | > select clear |
| 8407 | | |
| 8408 | | [Repeated 1 time(s)] |
| 8409 | | |
| 8410 | | > ui tool show "Ramachandran Plot" |
| 8411 | | |
| 8412 | | > isolde sim stop |
| 8413 | | |
| 8414 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 8415 | | chains... |
| 8416 | | ISOLDE: Corrected atom nomenclature of 3 residues in model #1.2 to IUPAC-IUB |
| 8417 | | standards. |
| 8418 | | ISOLDE: stopped sim |
| 8419 | | |
| 8420 | | > ui tool show "Ramachandran Plot" |
| 8421 | | |
| 8422 | | > isolde sim start sel |
| 8423 | | |
| 8424 | | ISOLDE: started sim |
| 8425 | | |
| 8426 | | > isolde pepflip sel |
| 8427 | | |
| 8428 | | Flipping the peptide bond for 1 residues |
| 8429 | | |
| 8430 | | > select clear |
| 8431 | | |
| 8432 | | [Repeated 3 time(s)] |
| 8433 | | |
| 8434 | | > isolde pepflip sel |
| 8435 | | |
| 8436 | | Flipping the peptide bond for 1 residues |
| 8437 | | |
| 8438 | | > isolde pepflip sel |
| 8439 | | |
| 8440 | | Flipping the peptide bond for 1 residues |
| 8441 | | |
| 8442 | | > isolde pepflip sel |
| 8443 | | |
| 8444 | | Flipping the peptide bond for 1 residues |
| 8445 | | |
| 8446 | | > select clear |
| 8447 | | |
| 8448 | | [Repeated 1 time(s)] |
| 8449 | | |
| 8450 | | > isolde pepflip sel |
| 8451 | | |
| 8452 | | Flipping the peptide bond for 1 residues |
| 8453 | | |
| 8454 | | > isolde pepflip sel |
| 8455 | | |
| 8456 | | Flipping the peptide bond for 1 residues |
| 8457 | | |
| 8458 | | > isolde pepflip sel |
| 8459 | | |
| 8460 | | Flipping the peptide bond for 1 residues |
| 8461 | | |
| 8462 | | > isolde pepflip sel |
| 8463 | | |
| 8464 | | Flipping the peptide bond for 1 residues |
| 8465 | | |
| 8466 | | > isolde pepflip sel |
| 8467 | | |
| 8468 | | Flipping the peptide bond for 1 residues |
| 8469 | | |
| 8470 | | > isolde pepflip sel |
| 8471 | | |
| 8472 | | Flipping the peptide bond for 1 residues |
| 8473 | | |
| 8474 | | > select clear |
| 8475 | | |
| 8476 | | [Repeated 1 time(s)] |
| 8477 | | |
| 8478 | | > ui tool show "Ramachandran Plot" |
| 8479 | | |
| 8480 | | > select clear |
| 8481 | | |
| 8482 | | [Repeated 1 time(s)] |
| 8483 | | |
| 8484 | | > ui tool show "Ramachandran Plot" |
| 8485 | | |
| 8486 | | [Repeated 1 time(s)] |
| 8487 | | |
| 8488 | | > isolde sim stop |
| 8489 | | |
| 8490 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 8491 | | chains... |
| 8492 | | ISOLDE: stopped sim |
| 8493 | | |
| 8494 | | > ui tool show "Ramachandran Plot" |
| 8495 | | |
| 8496 | | > isolde sim start sel |
| 8497 | | |
| 8498 | | ISOLDE: started sim |
| 8499 | | |
| 8500 | | > isolde pepflip sel |
| 8501 | | |
| 8502 | | Flipping the peptide bond for 1 residues |
| 8503 | | |
| 8504 | | > isolde pepflip sel |
| 8505 | | |
| 8506 | | Flipping the peptide bond for 1 residues |
| 8507 | | |
| 8508 | | > isolde pepflip sel |
| 8509 | | |
| 8510 | | Flipping the peptide bond for 1 residues |
| 8511 | | |
| 8512 | | > select clear |
| 8513 | | |
| 8514 | | > ui tool show "Ramachandran Plot" |
| 8515 | | |
| 8516 | | > isolde pepflip sel |
| 8517 | | |
| 8518 | | Flipping the peptide bond for 1 residues |
| 8519 | | |
| 8520 | | > select clear |
| 8521 | | |
| 8522 | | > ui tool show "Ramachandran Plot" |
| 8523 | | |
| 8524 | | [Repeated 1 time(s)] |
| 8525 | | |
| 8526 | | > isolde sim stop |
| 8527 | | |
| 8528 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 8529 | | chains... |
| 8530 | | ISOLDE: Corrected atom nomenclature of 2 residues in model #1.2 to IUPAC-IUB |
| 8531 | | standards. |
| 8532 | | ISOLDE: stopped sim |
| 8533 | | |
| 8534 | | > ui tool show "Ramachandran Plot" |
| 8535 | | |
| 8536 | | [Repeated 1 time(s)] |
| 8537 | | |
| 8538 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 8539 | | > mut8-no-C-ter/20-continuingNew-FirstSteps-RefiningBEFORE-Annealing.cxs |
| 8540 | | |
| 8541 | | Taking snapshot of stepper: 5opt-concatenated-Map-Mut8-40S-noCter.pdb |
| 8542 | | |
| 8543 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 8544 | | > mut8-no-C-ter/20-KSRP-no-C-ter-Step1-After-OverFitting_Yes-not_Refining- |
| 8545 | | > KSRP.pdb |
| 8546 | | |
| 8547 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 8548 | | > mut8-no-C-ter/20-continuingNew-FirstSteps-RefiningBEFORE-Annealing.pdb |
| 8549 | | |
| 8550 | | > isolde sim start sel |
| 8551 | | |
| 8552 | | ISOLDE: started sim |
| 8553 | | |
| 8554 | | > isolde sim stop discardTo start |
| 8555 | | |
| 8556 | | reverting to start |
| 8557 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 8558 | | chains... |
| 8559 | | ISOLDE: stopped sim |
| 8560 | | |
| 8561 | | > isolde sim start sel |
| 8562 | | |
| 8563 | | ISOLDE: started sim |
| 8564 | | |
| 8565 | | > isolde pepflip sel |
| 8566 | | |
| 8567 | | Flipping the peptide bond for 1 residues |
| 8568 | | |
| 8569 | | > isolde pepflip sel |
| 8570 | | |
| 8571 | | Flipping the peptide bond for 1 residues |
| 8572 | | |
| 8573 | | > select clear |
| 8574 | | |
| 8575 | | > ui tool show "Ramachandran Plot" |
| 8576 | | |
| 8577 | | [Repeated 1 time(s)] |
| 8578 | | |
| 8579 | | > isolde sim pause |
| 8580 | | |
| 8581 | | > ui tool show "Ramachandran Plot" |
| 8582 | | |
| 8583 | | > isolde sim resume |
| 8584 | | |
| 8585 | | > ui tool show "Ramachandran Plot" |
| 8586 | | |
| 8587 | | > isolde pepflip sel |
| 8588 | | |
| 8589 | | Flipping the peptide bond for 1 residues |
| 8590 | | |
| 8591 | | > isolde pepflip sel |
| 8592 | | |
| 8593 | | Flipping the peptide bond for 1 residues |
| 8594 | | |
| 8595 | | > select clear |
| 8596 | | |
| 8597 | | > isolde pepflip sel |
| 8598 | | |
| 8599 | | Flipping the peptide bond for 1 residues |
| 8600 | | |
| 8601 | | > isolde pepflip sel |
| 8602 | | |
| 8603 | | Flipping the peptide bond for 1 residues |
| 8604 | | |
| 8605 | | > isolde sim stop |
| 8606 | | |
| 8607 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 8608 | | chains... |
| 8609 | | ISOLDE: stopped sim |
| 8610 | | |
| 8611 | | > isolde sim start sel |
| 8612 | | |
| 8613 | | ISOLDE: started sim |
| 8614 | | |
| 8615 | | > select clear |
| 8616 | | |
| 8617 | | > ui tool show "Ramachandran Plot" |
| 8618 | | |
| 8619 | | [Repeated 2 time(s)] |
| 8620 | | |
| 8621 | | > isolde pepflip sel |
| 8622 | | |
| 8623 | | Flipping the peptide bond for 1 residues |
| 8624 | | |
| 8625 | | > ui tool show "Ramachandran Plot" |
| 8626 | | |
| 8627 | | [Repeated 1 time(s)] |
| 8628 | | |
| 8629 | | > select clear |
| 8630 | | |
| 8631 | | > ui tool show "Ramachandran Plot" |
| 8632 | | |
| 8633 | | > isolde sim stop |
| 8634 | | |
| 8635 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 8636 | | chains... |
| 8637 | | ISOLDE: Corrected atom nomenclature of 2 residues in model #1.2 to IUPAC-IUB |
| 8638 | | standards. |
| 8639 | | ISOLDE: stopped sim |
| 8640 | | |
| 8641 | | > isolde sim start sel |
| 8642 | | |
| 8643 | | ISOLDE: started sim |
| 8644 | | |
| 8645 | | > ui tool show "Ramachandran Plot" |
| 8646 | | |
| 8647 | | > select clear |
| 8648 | | |
| 8649 | | > ui tool show "Ramachandran Plot" |
| 8650 | | |
| 8651 | | > select clear |
| 8652 | | |
| 8653 | | > ui tool show "Ramachandran Plot" |
| 8654 | | |
| 8655 | | > select clear |
| 8656 | | |
| 8657 | | > ui tool show "Ramachandran Plot" |
| 8658 | | |
| 8659 | | [Repeated 1 time(s)] |
| 8660 | | |
| 8661 | | > isolde sim stop |
| 8662 | | |
| 8663 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 8664 | | chains... |
| 8665 | | ISOLDE: stopped sim |
| 8666 | | |
| 8667 | | > ui tool show "Ramachandran Plot" |
| 8668 | | |
| 8669 | | > isolde sim start sel |
| 8670 | | |
| 8671 | | ISOLDE: started sim |
| 8672 | | |
| 8673 | | > ui tool show "Ramachandran Plot" |
| 8674 | | |
| 8675 | | > select clear |
| 8676 | | |
| 8677 | | [Repeated 1 time(s)] |
| 8678 | | |
| 8679 | | > isolde pepflip sel |
| 8680 | | |
| 8681 | | Flipping the peptide bond for 1 residues |
| 8682 | | |
| 8683 | | > select clear |
| 8684 | | |
| 8685 | | > ui tool show "Ramachandran Plot" |
| 8686 | | |
| 8687 | | > isolde sim stop |
| 8688 | | |
| 8689 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 8690 | | chains... |
| 8691 | | ISOLDE: stopped sim |
| 8692 | | |
| 8693 | | > ui tool show "Ramachandran Plot" |
| 8694 | | |
| 8695 | | > isolde sim start sel |
| 8696 | | |
| 8697 | | ISOLDE: started sim |
| 8698 | | |
| 8699 | | > ui tool show "Ramachandran Plot" |
| 8700 | | |
| 8701 | | [Repeated 1 time(s)] |
| 8702 | | |
| 8703 | | > isolde sim stop |
| 8704 | | |
| 8705 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 8706 | | chains... |
| 8707 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 8708 | | standards. |
| 8709 | | ISOLDE: stopped sim |
| 8710 | | |
| 8711 | | > isolde sim start sel |
| 8712 | | |
| 8713 | | ISOLDE: started sim |
| 8714 | | |
| 8715 | | > select clear |
| 8716 | | |
| 8717 | | [Repeated 2 time(s)] |
| 8718 | | |
| 8719 | | > isolde pepflip sel |
| 8720 | | |
| 8721 | | Flipping the peptide bond for 1 residues |
| 8722 | | |
| 8723 | | > isolde pepflip sel |
| 8724 | | |
| 8725 | | Flipping the peptide bond for 1 residues |
| 8726 | | |
| 8727 | | > isolde pepflip sel |
| 8728 | | |
| 8729 | | Flipping the peptide bond for 1 residues |
| 8730 | | |
| 8731 | | > isolde pepflip sel |
| 8732 | | |
| 8733 | | Flipping the peptide bond for 1 residues |
| 8734 | | |
| 8735 | | > ui tool show "Ramachandran Plot" |
| 8736 | | |
| 8737 | | > isolde pepflip sel |
| 8738 | | |
| 8739 | | Flipping the peptide bond for 1 residues |
| 8740 | | |
| 8741 | | > select clear |
| 8742 | | |
| 8743 | | > isolde pepflip sel |
| 8744 | | |
| 8745 | | Flipping the peptide bond for 1 residues |
| 8746 | | |
| 8747 | | > isolde pepflip sel |
| 8748 | | |
| 8749 | | Flipping the peptide bond for 1 residues |
| 8750 | | |
| 8751 | | > select clear |
| 8752 | | |
| 8753 | | [Repeated 1 time(s)] |
| 8754 | | |
| 8755 | | > isolde pepflip sel |
| 8756 | | |
| 8757 | | Flipping the peptide bond for 1 residues |
| 8758 | | |
| 8759 | | > ui tool show "Ramachandran Plot" |
| 8760 | | |
| 8761 | | > select clear |
| 8762 | | |
| 8763 | | > ui tool show "Ramachandran Plot" |
| 8764 | | |
| 8765 | | [Repeated 1 time(s)] |
| 8766 | | |
| 8767 | | > isolde sim stop |
| 8768 | | |
| 8769 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 8770 | | chains... |
| 8771 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 8772 | | standards. |
| 8773 | | ISOLDE: stopped sim |
| 8774 | | |
| 8775 | | > ui tool show "Ramachandran Plot" |
| 8776 | | |
| 8777 | | > isolde sim start sel |
| 8778 | | |
| 8779 | | ISOLDE: started sim |
| 8780 | | |
| 8781 | | > ui tool show "Ramachandran Plot" |
| 8782 | | |
| 8783 | | > select clear |
| 8784 | | |
| 8785 | | > isolde sim stop |
| 8786 | | |
| 8787 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 8788 | | chains... |
| 8789 | | ISOLDE: stopped sim |
| 8790 | | |
| 8791 | | > ui tool show "Ramachandran Plot" |
| 8792 | | |
| 8793 | | > isolde sim start sel |
| 8794 | | |
| 8795 | | ISOLDE: started sim |
| 8796 | | |
| 8797 | | > isolde pepflip sel |
| 8798 | | |
| 8799 | | Flipping the peptide bond for 1 residues |
| 8800 | | |
| 8801 | | > select clear |
| 8802 | | |
| 8803 | | > isolde pepflip sel |
| 8804 | | |
| 8805 | | Flipping the peptide bond for 1 residues |
| 8806 | | |
| 8807 | | > select clear |
| 8808 | | |
| 8809 | | > isolde pepflip sel |
| 8810 | | |
| 8811 | | Flipping the peptide bond for 1 residues |
| 8812 | | |
| 8813 | | > isolde pepflip sel |
| 8814 | | |
| 8815 | | Flipping the peptide bond for 1 residues |
| 8816 | | |
| 8817 | | > select clear |
| 8818 | | |
| 8819 | | > ui tool show "Ramachandran Plot" |
| 8820 | | |
| 8821 | | > select clear |
| 8822 | | |
| 8823 | | [Repeated 2 time(s)] |
| 8824 | | |
| 8825 | | > ui tool show "Ramachandran Plot" |
| 8826 | | |
| 8827 | | > isolde pepflip sel |
| 8828 | | |
| 8829 | | Flipping the peptide bond for 1 residues |
| 8830 | | |
| 8831 | | > isolde pepflip sel |
| 8832 | | |
| 8833 | | Flipping the peptide bond for 1 residues |
| 8834 | | |
| 8835 | | > ui tool show "Ramachandran Plot" |
| 8836 | | |
| 8837 | | > select clear |
| 8838 | | |
| 8839 | | > isolde sim stop |
| 8840 | | |
| 8841 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 8842 | | chains... |
| 8843 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 8844 | | standards. |
| 8845 | | ISOLDE: stopped sim |
| 8846 | | |
| 8847 | | > ui tool show "Ramachandran Plot" |
| 8848 | | |
| 8849 | | [Repeated 1 time(s)] |
| 8850 | | |
| 8851 | | > isolde sim start sel |
| 8852 | | |
| 8853 | | ISOLDE: started sim |
| 8854 | | |
| 8855 | | > select clear |
| 8856 | | |
| 8857 | | > ui tool show "Ramachandran Plot" |
| 8858 | | |
| 8859 | | [Repeated 1 time(s)] |
| 8860 | | |
| 8861 | | > view #1/d:155 |
| 8862 | | |
| 8863 | | > select clear |
| 8864 | | |
| 8865 | | > isolde sim stop |
| 8866 | | |
| 8867 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 8868 | | chains... |
| 8869 | | ISOLDE: Corrected atom nomenclature of 2 residues in model #1.2 to IUPAC-IUB |
| 8870 | | standards. |
| 8871 | | ISOLDE: stopped sim |
| 8872 | | |
| 8873 | | > ui tool show "Ramachandran Plot" |
| 8874 | | |
| 8875 | | > isolde sim start sel |
| 8876 | | |
| 8877 | | ISOLDE: started sim |
| 8878 | | |
| 8879 | | > isolde pepflip sel |
| 8880 | | |
| 8881 | | Flipping the peptide bond for 1 residues |
| 8882 | | |
| 8883 | | > ui tool show "Ramachandran Plot" |
| 8884 | | |
| 8885 | | > select clear |
| 8886 | | |
| 8887 | | > isolde sim pause |
| 8888 | | |
| 8889 | | > isolde sim resume |
| 8890 | | |
| 8891 | | > ui tool show "Ramachandran Plot" |
| 8892 | | |
| 8893 | | > isolde sim stop |
| 8894 | | |
| 8895 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 8896 | | chains... |
| 8897 | | ISOLDE: Corrected atom nomenclature of 3 residues in model #1.2 to IUPAC-IUB |
| 8898 | | standards. |
| 8899 | | ISOLDE: stopped sim |
| 8900 | | |
| 8901 | | > ui tool show "Ramachandran Plot" |
| 8902 | | |
| 8903 | | > isolde sim start sel |
| 8904 | | |
| 8905 | | ISOLDE: started sim |
| 8906 | | |
| 8907 | | > isolde pepflip sel |
| 8908 | | |
| 8909 | | Flipping the peptide bond for 1 residues |
| 8910 | | |
| 8911 | | > isolde pepflip sel |
| 8912 | | |
| 8913 | | Flipping the peptide bond for 1 residues |
| 8914 | | |
| 8915 | | > isolde pepflip sel |
| 8916 | | |
| 8917 | | Flipping the peptide bond for 1 residues |
| 8918 | | |
| 8919 | | > isolde pepflip sel |
| 8920 | | |
| 8921 | | Flipping the peptide bond for 1 residues |
| 8922 | | |
| 8923 | | > isolde pepflip sel |
| 8924 | | |
| 8925 | | Flipping the peptide bond for 1 residues |
| 8926 | | |
| 8927 | | > select clear |
| 8928 | | |
| 8929 | | > isolde pepflip sel |
| 8930 | | |
| 8931 | | Flipping the peptide bond for 1 residues |
| 8932 | | |
| 8933 | | > isolde pepflip sel |
| 8934 | | |
| 8935 | | Flipping the peptide bond for 1 residues |
| 8936 | | |
| 8937 | | > isolde pepflip sel |
| 8938 | | |
| 8939 | | Flipping the peptide bond for 1 residues |
| 8940 | | |
| 8941 | | > isolde pepflip sel |
| 8942 | | |
| 8943 | | Flipping the peptide bond for 1 residues |
| 8944 | | |
| 8945 | | > select clear |
| 8946 | | |
| 8947 | | > ui tool show "Ramachandran Plot" |
| 8948 | | |
| 8949 | | > isolde sim pause |
| 8950 | | |
| 8951 | | > isolde sim resume |
| 8952 | | |
| 8953 | | > ui tool show "Ramachandran Plot" |
| 8954 | | |
| 8955 | | > isolde sim stop |
| 8956 | | |
| 8957 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 8958 | | chains... |
| 8959 | | ISOLDE: Corrected atom nomenclature of 3 residues in model #1.2 to IUPAC-IUB |
| 8960 | | standards. |
| 8961 | | ISOLDE: stopped sim |
| 8962 | | |
| 8963 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 8964 | | > mut8-no-C-ter/20-1-continuingNew-FirstSteps-RefiningBEFORE-Annealing- |
| 8965 | | > step20-1.cxs |
| 8966 | | |
| 8967 | | Taking snapshot of stepper: 5opt-concatenated-Map-Mut8-40S-noCter.pdb |
| 8968 | | |
| 8969 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 8970 | | > mut8-no-C-ter/20-1-continuingNew-FirstSteps-RefiningBEFORE-Annealing- |
| 8971 | | > step20-1.pdb |
| 8972 | | |
| 8973 | | > ui tool show "Ramachandran Plot" |
| 8974 | | |
| 8975 | | > isolde sim start sel |
| 8976 | | |
| 8977 | | ISOLDE: started sim |
| 8978 | | |
| 8979 | | > select clear |
| 8980 | | |
| 8981 | | > ui tool show "Ramachandran Plot" |
| 8982 | | |
| 8983 | | > select clear |
| 8984 | | |
| 8985 | | > isolde sim stop |
| 8986 | | |
| 8987 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 8988 | | chains... |
| 8989 | | ISOLDE: stopped sim |
| 8990 | | |
| 8991 | | > ui tool show "Ramachandran Plot" |
| 8992 | | |
| 8993 | | > isolde sim start sel |
| 8994 | | |
| 8995 | | ISOLDE: started sim |
| 8996 | | |
| 8997 | | > ui tool show "Ramachandran Plot" |
| 8998 | | |
| 8999 | | > select clear |
| 9000 | | |
| 9001 | | > ui tool show "Ramachandran Plot" |
| 9002 | | |
| 9003 | | > isolde pepflip sel |
| 9004 | | |
| 9005 | | Flipping the peptide bond for 1 residues |
| 9006 | | |
| 9007 | | > select clear |
| 9008 | | |
| 9009 | | > isolde pepflip sel |
| 9010 | | |
| 9011 | | Flipping the peptide bond for 1 residues |
| 9012 | | |
| 9013 | | > select clear |
| 9014 | | |
| 9015 | | > ui tool show "Ramachandran Plot" |
| 9016 | | |
| 9017 | | > select clear |
| 9018 | | |
| 9019 | | [Repeated 1 time(s)] |
| 9020 | | |
| 9021 | | > view #1/q:29 |
| 9022 | | |
| 9023 | | > isolde sim pause |
| 9024 | | |
| 9025 | | > ui tool show "Ramachandran Plot" |
| 9026 | | |
| 9027 | | Traceback (most recent call last): |
| 9028 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9029 | | packages/matplotlib/cbook/__init__.py", line 287, in process |
| 9030 | | func(*args, **kwargs) |
| 9031 | | File "/srv/home/leonardo/.local/share/ChimeraX/1.4/site- |
| 9032 | | packages/chimerax/isolde/validation/ramaplot/ramaplot.py", line 292, in |
| 9033 | | on_resize |
| 9034 | | c.draw() |
| 9035 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9036 | | packages/matplotlib/backends/backend_agg.py", line 436, in draw |
| 9037 | | self.figure.draw(self.renderer) |
| 9038 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9039 | | packages/matplotlib/artist.py", line 73, in draw_wrapper |
| 9040 | | result = draw(artist, renderer, *args, **kwargs) |
| 9041 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9042 | | packages/matplotlib/artist.py", line 50, in draw_wrapper |
| 9043 | | return draw(artist, renderer) |
| 9044 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9045 | | packages/matplotlib/figure.py", line 2796, in draw |
| 9046 | | artists = self._get_draw_artists(renderer) |
| 9047 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9048 | | packages/matplotlib/figure.py", line 238, in _get_draw_artists |
| 9049 | | ax.apply_aspect() |
| 9050 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9051 | | packages/matplotlib/axes/_base.py", line 1890, in apply_aspect |
| 9052 | | pb1 = pb.shrunk_to_aspect(box_aspect, pb, fig_aspect) |
| 9053 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9054 | | packages/matplotlib/transforms.py", line 558, in shrunk_to_aspect |
| 9055 | | raise ValueError("'box_aspect' and 'fig_aspect' must be positive") |
| 9056 | | ValueError: 'box_aspect' and 'fig_aspect' must be positive |
| 9057 | | |
| 9058 | | > ui tool show "Ramachandran Plot" |
| 9059 | | |
| 9060 | | [Repeated 1 time(s)]Traceback (most recent call last): |
| 9061 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9062 | | packages/matplotlib/cbook/__init__.py", line 287, in process |
| 9063 | | func(*args, **kwargs) |
| 9064 | | File "/srv/home/leonardo/.local/share/ChimeraX/1.4/site- |
| 9065 | | packages/chimerax/isolde/validation/ramaplot/ramaplot.py", line 292, in |
| 9066 | | on_resize |
| 9067 | | c.draw() |
| 9068 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9069 | | packages/matplotlib/backends/backend_agg.py", line 436, in draw |
| 9070 | | self.figure.draw(self.renderer) |
| 9071 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9072 | | packages/matplotlib/artist.py", line 73, in draw_wrapper |
| 9073 | | result = draw(artist, renderer, *args, **kwargs) |
| 9074 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9075 | | packages/matplotlib/artist.py", line 50, in draw_wrapper |
| 9076 | | return draw(artist, renderer) |
| 9077 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9078 | | packages/matplotlib/figure.py", line 2796, in draw |
| 9079 | | artists = self._get_draw_artists(renderer) |
| 9080 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9081 | | packages/matplotlib/figure.py", line 238, in _get_draw_artists |
| 9082 | | ax.apply_aspect() |
| 9083 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9084 | | packages/matplotlib/axes/_base.py", line 1890, in apply_aspect |
| 9085 | | pb1 = pb.shrunk_to_aspect(box_aspect, pb, fig_aspect) |
| 9086 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9087 | | packages/matplotlib/transforms.py", line 558, in shrunk_to_aspect |
| 9088 | | raise ValueError("'box_aspect' and 'fig_aspect' must be positive") |
| 9089 | | ValueError: 'box_aspect' and 'fig_aspect' must be positive |
| 9090 | | |
| 9091 | | > isolde sim resume |
| 9092 | | |
| 9093 | | > isolde sim pause |
| 9094 | | |
| 9095 | | > isolde sim resume |
| 9096 | | |
| 9097 | | > select clear |
| 9098 | | |
| 9099 | | > isolde pepflip sel |
| 9100 | | |
| 9101 | | Flipping the peptide bond for 1 residues |
| 9102 | | |
| 9103 | | > select clear |
| 9104 | | |
| 9105 | | > isolde sim pause |
| 9106 | | |
| 9107 | | > isolde sim resume |
| 9108 | | |
| 9109 | | > select clear |
| 9110 | | |
| 9111 | | > isolde pepflip sel |
| 9112 | | |
| 9113 | | Flipping the peptide bond for 1 residues |
| 9114 | | |
| 9115 | | > isolde pepflip sel |
| 9116 | | |
| 9117 | | Flipping the peptide bond for 1 residues |
| 9118 | | |
| 9119 | | > select clear |
| 9120 | | |
| 9121 | | > ui tool show "Ramachandran Plot" |
| 9122 | | |
| 9123 | | > select clear |
| 9124 | | |
| 9125 | | > isolde sim pause |
| 9126 | | |
| 9127 | | > ui tool show "Ramachandran Plot" |
| 9128 | | |
| 9129 | | > isolde sim resume |
| 9130 | | |
| 9131 | | > select clear |
| 9132 | | |
| 9133 | | > isolde pepflip sel |
| 9134 | | |
| 9135 | | Flipping the peptide bond for 1 residues |
| 9136 | | |
| 9137 | | > isolde pepflip sel |
| 9138 | | |
| 9139 | | Flipping the peptide bond for 1 residues |
| 9140 | | |
| 9141 | | > isolde pepflip sel |
| 9142 | | |
| 9143 | | Flipping the peptide bond for 1 residues |
| 9144 | | |
| 9145 | | > isolde pepflip sel |
| 9146 | | |
| 9147 | | Flipping the peptide bond for 1 residues |
| 9148 | | |
| 9149 | | > isolde pepflip sel |
| 9150 | | |
| 9151 | | Flipping the peptide bond for 1 residues |
| 9152 | | |
| 9153 | | > isolde pepflip sel |
| 9154 | | |
| 9155 | | Flipping the peptide bond for 1 residues |
| 9156 | | |
| 9157 | | > ui tool show "Ramachandran Plot" |
| 9158 | | |
| 9159 | | > select clear |
| 9160 | | |
| 9161 | | > isolde sim pause |
| 9162 | | |
| 9163 | | > ui tool show "Ramachandran Plot" |
| 9164 | | |
| 9165 | | > select clear |
| 9166 | | |
| 9167 | | > isolde sim resume |
| 9168 | | |
| 9169 | | > isolde pepflip sel |
| 9170 | | |
| 9171 | | Flipping the peptide bond for 1 residues |
| 9172 | | |
| 9173 | | > select clear |
| 9174 | | |
| 9175 | | > isolde pepflip sel |
| 9176 | | |
| 9177 | | Flipping the peptide bond for 1 residues |
| 9178 | | |
| 9179 | | > ui tool show "Ramachandran Plot" |
| 9180 | | |
| 9181 | | > select clear |
| 9182 | | |
| 9183 | | > isolde sim pause |
| 9184 | | |
| 9185 | | > isolde sim resume |
| 9186 | | |
| 9187 | | > ui tool show "Ramachandran Plot" |
| 9188 | | |
| 9189 | | [Repeated 2 time(s)] |
| 9190 | | |
| 9191 | | > select clear |
| 9192 | | |
| 9193 | | > isolde pepflip sel |
| 9194 | | |
| 9195 | | Flipping the peptide bond for 1 residues |
| 9196 | | |
| 9197 | | > ui tool show "Ramachandran Plot" |
| 9198 | | |
| 9199 | | > select clear |
| 9200 | | |
| 9201 | | [Repeated 2 time(s)] |
| 9202 | | |
| 9203 | | > ui tool show "Ramachandran Plot" |
| 9204 | | |
| 9205 | | > select clear |
| 9206 | | |
| 9207 | | > ui tool show "Ramachandran Plot" |
| 9208 | | |
| 9209 | | Traceback (most recent call last): |
| 9210 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9211 | | packages/matplotlib/cbook/__init__.py", line 287, in process |
| 9212 | | func(*args, **kwargs) |
| 9213 | | File "/srv/home/leonardo/.local/share/ChimeraX/1.4/site- |
| 9214 | | packages/chimerax/isolde/validation/ramaplot/ramaplot.py", line 292, in |
| 9215 | | on_resize |
| 9216 | | c.draw() |
| 9217 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9218 | | packages/matplotlib/backends/backend_agg.py", line 436, in draw |
| 9219 | | self.figure.draw(self.renderer) |
| 9220 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9221 | | packages/matplotlib/artist.py", line 73, in draw_wrapper |
| 9222 | | result = draw(artist, renderer, *args, **kwargs) |
| 9223 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9224 | | packages/matplotlib/artist.py", line 50, in draw_wrapper |
| 9225 | | return draw(artist, renderer) |
| 9226 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9227 | | packages/matplotlib/figure.py", line 2796, in draw |
| 9228 | | artists = self._get_draw_artists(renderer) |
| 9229 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9230 | | packages/matplotlib/figure.py", line 238, in _get_draw_artists |
| 9231 | | ax.apply_aspect() |
| 9232 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9233 | | packages/matplotlib/axes/_base.py", line 1890, in apply_aspect |
| 9234 | | pb1 = pb.shrunk_to_aspect(box_aspect, pb, fig_aspect) |
| 9235 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9236 | | packages/matplotlib/transforms.py", line 558, in shrunk_to_aspect |
| 9237 | | raise ValueError("'box_aspect' and 'fig_aspect' must be positive") |
| 9238 | | ValueError: 'box_aspect' and 'fig_aspect' must be positive |
| 9239 | | |
| 9240 | | > select clear |
| 9241 | | |
| 9242 | | > ui tool show "Ramachandran Plot" |
| 9243 | | |
| 9244 | | > select clear |
| 9245 | | |
| 9246 | | > ui tool show "Ramachandran Plot" |
| 9247 | | |
| 9248 | | > style #1/q:34|/q:39 sphere |
| 9249 | | |
| 9250 | | Changed 38 atom styles |
| 9251 | | |
| 9252 | | > style #1/q:34|/q:39 stick |
| 9253 | | |
| 9254 | | Changed 38 atom styles |
| 9255 | | |
| 9256 | | > ui tool show "Ramachandran Plot" |
| 9257 | | |
| 9258 | | > select clear |
| 9259 | | |
| 9260 | | > isolde sim pause |
| 9261 | | |
| 9262 | | > style #1/q:34|/q:39|/q:32 sphere |
| 9263 | | |
| 9264 | | Changed 57 atom styles |
| 9265 | | |
| 9266 | | > style #1/q:34|/q:39|/q:32 stick |
| 9267 | | |
| 9268 | | Changed 57 atom styles |
| 9269 | | |
| 9270 | | > ui tool show "Ramachandran Plot" |
| 9271 | | |
| 9272 | | > isolde sim resume |
| 9273 | | |
| 9274 | | > isolde sim stop |
| 9275 | | |
| 9276 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 9277 | | chains... |
| 9278 | | ISOLDE: stopped sim |
| 9279 | | |
| 9280 | | > isolde sim start sel |
| 9281 | | |
| 9282 | | ISOLDE: started sim |
| 9283 | | |
| 9284 | | > select clear |
| 9285 | | |
| 9286 | | > isolde pepflip sel |
| 9287 | | |
| 9288 | | Flipping the peptide bond for 1 residues |
| 9289 | | |
| 9290 | | > isolde pepflip sel |
| 9291 | | |
| 9292 | | Flipping the peptide bond for 1 residues |
| 9293 | | |
| 9294 | | > isolde pepflip sel |
| 9295 | | |
| 9296 | | Flipping the peptide bond for 1 residues |
| 9297 | | |
| 9298 | | > isolde pepflip sel |
| 9299 | | |
| 9300 | | Flipping the peptide bond for 1 residues |
| 9301 | | |
| 9302 | | > isolde pepflip sel |
| 9303 | | |
| 9304 | | Flipping the peptide bond for 1 residues |
| 9305 | | |
| 9306 | | > isolde pepflip sel |
| 9307 | | |
| 9308 | | Flipping the peptide bond for 1 residues |
| 9309 | | |
| 9310 | | > isolde pepflip sel |
| 9311 | | |
| 9312 | | Flipping the peptide bond for 1 residues |
| 9313 | | |
| 9314 | | > isolde sim pause |
| 9315 | | |
| 9316 | | > isolde sim resume |
| 9317 | | |
| 9318 | | > ui tool show "Ramachandran Plot" |
| 9319 | | |
| 9320 | | [Repeated 1 time(s)] |
| 9321 | | |
| 9322 | | > select clear |
| 9323 | | |
| 9324 | | [Repeated 2 time(s)] |
| 9325 | | |
| 9326 | | > ui tool show "Ramachandran Plot" |
| 9327 | | |
| 9328 | | [Repeated 2 time(s)] |
| 9329 | | |
| 9330 | | > isolde pepflip sel |
| 9331 | | |
| 9332 | | Flipping the peptide bond for 1 residues |
| 9333 | | |
| 9334 | | > select clear |
| 9335 | | |
| 9336 | | > isolde pepflip sel |
| 9337 | | |
| 9338 | | Flipping the peptide bond for 1 residues |
| 9339 | | |
| 9340 | | > isolde pepflip sel |
| 9341 | | |
| 9342 | | Flipping the peptide bond for 1 residues |
| 9343 | | |
| 9344 | | > select clear |
| 9345 | | |
| 9346 | | [Repeated 2 time(s)] |
| 9347 | | |
| 9348 | | > style #1/q:23-24 sphere |
| 9349 | | |
| 9350 | | Changed 35 atom styles |
| 9351 | | |
| 9352 | | > style #1/q:23-24 stick |
| 9353 | | |
| 9354 | | Changed 35 atom styles |
| 9355 | | |
| 9356 | | > ui tool show "Ramachandran Plot" |
| 9357 | | |
| 9358 | | > select clear |
| 9359 | | |
| 9360 | | > ui tool show "Ramachandran Plot" |
| 9361 | | |
| 9362 | | > select clear |
| 9363 | | |
| 9364 | | [Repeated 2 time(s)] |
| 9365 | | |
| 9366 | | > isolde sim pause |
| 9367 | | |
| 9368 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 9369 | | > mut8-no-C-ter/20-2-continuingNew-FirstSteps-RefiningBEFORE-Annealing- |
| 9370 | | > step20-2.pdb |
| 9371 | | |
| 9372 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 9373 | | > mut8-no-C-ter/20-2-continuingNew-FirstSteps-RefiningBEFORE-Annealing- |
| 9374 | | > step20-2.cxs |
| 9375 | | |
| 9376 | | Taking snapshot of stepper: 5opt-concatenated-Map-Mut8-40S-noCter.pdb |
| 9377 | | |
| 9378 | | > isolde sim resume |
| 9379 | | |
| 9380 | | > ui tool show "Ramachandran Plot" |
| 9381 | | |
| 9382 | | Traceback (most recent call last): |
| 9383 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9384 | | packages/matplotlib/cbook/__init__.py", line 287, in process |
| 9385 | | func(*args, **kwargs) |
| 9386 | | File "/srv/home/leonardo/.local/share/ChimeraX/1.4/site- |
| 9387 | | packages/chimerax/isolde/validation/ramaplot/ramaplot.py", line 292, in |
| 9388 | | on_resize |
| 9389 | | c.draw() |
| 9390 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9391 | | packages/matplotlib/backends/backend_agg.py", line 436, in draw |
| 9392 | | self.figure.draw(self.renderer) |
| 9393 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9394 | | packages/matplotlib/artist.py", line 73, in draw_wrapper |
| 9395 | | result = draw(artist, renderer, *args, **kwargs) |
| 9396 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9397 | | packages/matplotlib/artist.py", line 50, in draw_wrapper |
| 9398 | | return draw(artist, renderer) |
| 9399 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9400 | | packages/matplotlib/figure.py", line 2796, in draw |
| 9401 | | artists = self._get_draw_artists(renderer) |
| 9402 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9403 | | packages/matplotlib/figure.py", line 238, in _get_draw_artists |
| 9404 | | ax.apply_aspect() |
| 9405 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9406 | | packages/matplotlib/axes/_base.py", line 1890, in apply_aspect |
| 9407 | | pb1 = pb.shrunk_to_aspect(box_aspect, pb, fig_aspect) |
| 9408 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9409 | | packages/matplotlib/transforms.py", line 558, in shrunk_to_aspect |
| 9410 | | raise ValueError("'box_aspect' and 'fig_aspect' must be positive") |
| 9411 | | ValueError: 'box_aspect' and 'fig_aspect' must be positive |
| 9412 | | |
| 9413 | | > isolde sim pause |
| 9414 | | |
| 9415 | | > view #1/q:24 |
| 9416 | | |
| 9417 | | > isolde sim resume |
| 9418 | | |
| 9419 | | > select clear |
| 9420 | | |
| 9421 | | [Repeated 2 time(s)] |
| 9422 | | |
| 9423 | | > isolde pepflip sel |
| 9424 | | |
| 9425 | | Flipping the peptide bond for 1 residues |
| 9426 | | |
| 9427 | | > select clear |
| 9428 | | |
| 9429 | | [Repeated 4 time(s)] |
| 9430 | | |
| 9431 | | > ui tool show "Ramachandran Plot" |
| 9432 | | |
| 9433 | | > style #1/i:23-24|/n:68 sphere |
| 9434 | | |
| 9435 | | Changed 53 atom styles |
| 9436 | | |
| 9437 | | > style #1/i:23-24|/n:68 stick] |
| 9438 | | |
| 9439 | | Expected a keyword |
| 9440 | | |
| 9441 | | > style #1/i:23-24|/n:68 stick |
| 9442 | | |
| 9443 | | Changed 53 atom styles |
| 9444 | | |
| 9445 | | > style #1/q:23-24|/n:68 sphere |
| 9446 | | |
| 9447 | | Changed 59 atom styles |
| 9448 | | |
| 9449 | | > style #1/q:23-24|/n:68 stick |
| 9450 | | |
| 9451 | | Changed 59 atom styles |
| 9452 | | |
| 9453 | | > ui tool show "Ramachandran Plot" |
| 9454 | | |
| 9455 | | > isolde sim stop |
| 9456 | | |
| 9457 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 9458 | | chains... |
| 9459 | | ISOLDE: Corrected atom nomenclature of 3 residues in model #1.2 to IUPAC-IUB |
| 9460 | | standards. |
| 9461 | | ISOLDE: stopped sim |
| 9462 | | |
| 9463 | | > view #1/q:41 |
| 9464 | | |
| 9465 | | > select #1/q:41 |
| 9466 | | |
| 9467 | | 24 atoms, 23 bonds, 1 residue, 1 model selected |
| 9468 | | |
| 9469 | | > isolde sim start sel |
| 9470 | | |
| 9471 | | ISOLDE: started sim |
| 9472 | | |
| 9473 | | > ui tool show "Ramachandran Plot" |
| 9474 | | |
| 9475 | | > select clear |
| 9476 | | |
| 9477 | | > isolde sim stop |
| 9478 | | |
| 9479 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 9480 | | chains... |
| 9481 | | ISOLDE: stopped sim |
| 9482 | | |
| 9483 | | > isolde sim start sel |
| 9484 | | |
| 9485 | | ISOLDE: started sim |
| 9486 | | |
| 9487 | | > ui tool show "Ramachandran Plot" |
| 9488 | | |
| 9489 | | > select clear |
| 9490 | | |
| 9491 | | [Repeated 1 time(s)] |
| 9492 | | |
| 9493 | | > isolde pepflip sel |
| 9494 | | |
| 9495 | | Flipping the peptide bond for 1 residues |
| 9496 | | |
| 9497 | | > isolde pepflip sel |
| 9498 | | |
| 9499 | | Flipping the peptide bond for 1 residues |
| 9500 | | |
| 9501 | | > isolde pepflip sel |
| 9502 | | |
| 9503 | | Flipping the peptide bond for 1 residues |
| 9504 | | |
| 9505 | | > isolde sim stop discardTo start |
| 9506 | | |
| 9507 | | reverting to start |
| 9508 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 9509 | | chains... |
| 9510 | | ISOLDE: stopped sim |
| 9511 | | |
| 9512 | | > isolde sim start sel |
| 9513 | | |
| 9514 | | ISOLDE: started sim |
| 9515 | | |
| 9516 | | > ui tool show "Ramachandran Plot" |
| 9517 | | |
| 9518 | | > select clear |
| 9519 | | |
| 9520 | | > isolde pepflip sel |
| 9521 | | |
| 9522 | | Flipping the peptide bond for 1 residues |
| 9523 | | |
| 9524 | | > select clear |
| 9525 | | |
| 9526 | | > isolde pepflip sel |
| 9527 | | |
| 9528 | | Flipping the peptide bond for 1 residues |
| 9529 | | |
| 9530 | | > isolde pepflip sel |
| 9531 | | |
| 9532 | | Flipping the peptide bond for 1 residues |
| 9533 | | |
| 9534 | | > select clear |
| 9535 | | |
| 9536 | | > isolde pepflip sel |
| 9537 | | |
| 9538 | | Flipping the peptide bond for 1 residues |
| 9539 | | |
| 9540 | | > isolde pepflip sel |
| 9541 | | |
| 9542 | | Flipping the peptide bond for 1 residues |
| 9543 | | |
| 9544 | | > isolde pepflip sel |
| 9545 | | |
| 9546 | | Flipping the peptide bond for 1 residues |
| 9547 | | |
| 9548 | | > isolde pepflip sel |
| 9549 | | |
| 9550 | | Flipping the peptide bond for 1 residues |
| 9551 | | |
| 9552 | | > isolde pepflip sel |
| 9553 | | |
| 9554 | | Flipping the peptide bond for 1 residues |
| 9555 | | |
| 9556 | | > select clear |
| 9557 | | |
| 9558 | | > ui tool show "Ramachandran Plot" |
| 9559 | | |
| 9560 | | [Repeated 1 time(s)] |
| 9561 | | |
| 9562 | | > isolde sim stop |
| 9563 | | |
| 9564 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 9565 | | chains... |
| 9566 | | ISOLDE: Corrected atom nomenclature of 2 residues in model #1.2 to IUPAC-IUB |
| 9567 | | standards. |
| 9568 | | ISOLDE: stopped sim |
| 9569 | | |
| 9570 | | > view #1/q:41 |
| 9571 | | |
| 9572 | | > select #1/q:41 |
| 9573 | | |
| 9574 | | 24 atoms, 23 bonds, 1 residue, 1 model selected |
| 9575 | | |
| 9576 | | > isolde sim start sel |
| 9577 | | |
| 9578 | | ISOLDE: started sim |
| 9579 | | |
| 9580 | | > ui tool show "Ramachandran Plot" |
| 9581 | | |
| 9582 | | > select clear |
| 9583 | | |
| 9584 | | > isolde sim stop |
| 9585 | | |
| 9586 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 9587 | | chains... |
| 9588 | | ISOLDE: stopped sim |
| 9589 | | |
| 9590 | | > ui tool show "Ramachandran Plot" |
| 9591 | | |
| 9592 | | > isolde sim start sel |
| 9593 | | |
| 9594 | | ISOLDE: started sim |
| 9595 | | |
| 9596 | | > isolde pepflip sel |
| 9597 | | |
| 9598 | | Flipping the peptide bond for 1 residues |
| 9599 | | |
| 9600 | | > isolde pepflip sel |
| 9601 | | |
| 9602 | | Flipping the peptide bond for 1 residues |
| 9603 | | |
| 9604 | | > select clear |
| 9605 | | |
| 9606 | | > ui tool show "Ramachandran Plot" |
| 9607 | | |
| 9608 | | > isolde pepflip sel |
| 9609 | | |
| 9610 | | Flipping the peptide bond for 1 residues |
| 9611 | | |
| 9612 | | > select clear |
| 9613 | | |
| 9614 | | > ui tool show "Ramachandran Plot" |
| 9615 | | |
| 9616 | | > select clear |
| 9617 | | |
| 9618 | | [Repeated 1 time(s)] |
| 9619 | | |
| 9620 | | > isolde sim stop |
| 9621 | | |
| 9622 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 9623 | | chains... |
| 9624 | | ISOLDE: stopped sim |
| 9625 | | |
| 9626 | | > ui tool show "Ramachandran Plot" |
| 9627 | | |
| 9628 | | > isolde sim start sel |
| 9629 | | |
| 9630 | | ISOLDE: started sim |
| 9631 | | |
| 9632 | | > ui tool show "Ramachandran Plot" |
| 9633 | | |
| 9634 | | > select clear |
| 9635 | | |
| 9636 | | > isolde sim stop |
| 9637 | | |
| 9638 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 9639 | | chains... |
| 9640 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 9641 | | standards. |
| 9642 | | ISOLDE: stopped sim |
| 9643 | | |
| 9644 | | > ui tool show "Ramachandran Plot" |
| 9645 | | |
| 9646 | | > isolde sim start sel |
| 9647 | | |
| 9648 | | ISOLDE: started sim |
| 9649 | | |
| 9650 | | > ui tool show "Ramachandran Plot" |
| 9651 | | |
| 9652 | | > select clear |
| 9653 | | |
| 9654 | | > ui tool show "Ramachandran Plot" |
| 9655 | | |
| 9656 | | > isolde sim stop |
| 9657 | | |
| 9658 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 9659 | | chains... |
| 9660 | | ISOLDE: stopped sim |
| 9661 | | |
| 9662 | | > ui tool show "Ramachandran Plot" |
| 9663 | | |
| 9664 | | > isolde sim start sel |
| 9665 | | |
| 9666 | | ISOLDE: started sim |
| 9667 | | |
| 9668 | | > ui tool show "Ramachandran Plot" |
| 9669 | | |
| 9670 | | > isolde pepflip sel |
| 9671 | | |
| 9672 | | Flipping the peptide bond for 1 residues |
| 9673 | | |
| 9674 | | > isolde pepflip sel |
| 9675 | | |
| 9676 | | Flipping the peptide bond for 1 residues |
| 9677 | | |
| 9678 | | > isolde pepflip sel |
| 9679 | | |
| 9680 | | Flipping the peptide bond for 1 residues |
| 9681 | | |
| 9682 | | > isolde pepflip sel |
| 9683 | | |
| 9684 | | Flipping the peptide bond for 1 residues |
| 9685 | | |
| 9686 | | > select clear |
| 9687 | | |
| 9688 | | [Repeated 1 time(s)] |
| 9689 | | |
| 9690 | | > isolde pepflip sel |
| 9691 | | |
| 9692 | | Flipping the peptide bond for 1 residues |
| 9693 | | |
| 9694 | | > select clear |
| 9695 | | |
| 9696 | | [Repeated 1 time(s)] |
| 9697 | | |
| 9698 | | > ui tool show "Ramachandran Plot" |
| 9699 | | |
| 9700 | | > select clear |
| 9701 | | |
| 9702 | | > ui tool show "Ramachandran Plot" |
| 9703 | | |
| 9704 | | > select clear |
| 9705 | | |
| 9706 | | > isolde pepflip sel |
| 9707 | | |
| 9708 | | Flipping the peptide bond for 1 residues |
| 9709 | | |
| 9710 | | > select clear |
| 9711 | | |
| 9712 | | [Repeated 2 time(s)] |
| 9713 | | |
| 9714 | | > ui tool show "Ramachandran Plot" |
| 9715 | | |
| 9716 | | > select clear |
| 9717 | | |
| 9718 | | > isolde sim stop |
| 9719 | | |
| 9720 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 9721 | | chains... |
| 9722 | | ISOLDE: Corrected atom nomenclature of 3 residues in model #1.2 to IUPAC-IUB |
| 9723 | | standards. |
| 9724 | | ISOLDE: stopped sim |
| 9725 | | |
| 9726 | | > ui tool show "Ramachandran Plot" |
| 9727 | | |
| 9728 | | > isolde sim start sel |
| 9729 | | |
| 9730 | | ISOLDE: started sim |
| 9731 | | |
| 9732 | | > isolde pepflip sel |
| 9733 | | |
| 9734 | | Flipping the peptide bond for 1 residues |
| 9735 | | |
| 9736 | | > isolde pepflip sel |
| 9737 | | |
| 9738 | | Flipping the peptide bond for 1 residues |
| 9739 | | |
| 9740 | | > isolde pepflip sel |
| 9741 | | |
| 9742 | | Flipping the peptide bond for 1 residues |
| 9743 | | |
| 9744 | | > select clear |
| 9745 | | |
| 9746 | | > isolde pepflip sel |
| 9747 | | |
| 9748 | | Flipping the peptide bond for 1 residues |
| 9749 | | |
| 9750 | | > isolde pepflip sel |
| 9751 | | |
| 9752 | | Flipping the peptide bond for 1 residues |
| 9753 | | |
| 9754 | | > select clear |
| 9755 | | |
| 9756 | | > isolde pepflip sel |
| 9757 | | |
| 9758 | | Flipping the peptide bond for 1 residues |
| 9759 | | |
| 9760 | | > isolde pepflip sel |
| 9761 | | |
| 9762 | | Flipping the peptide bond for 1 residues |
| 9763 | | |
| 9764 | | > select clear |
| 9765 | | |
| 9766 | | [Repeated 1 time(s)] |
| 9767 | | |
| 9768 | | > ui tool show "Ramachandran Plot" |
| 9769 | | |
| 9770 | | > select clear |
| 9771 | | |
| 9772 | | > isolde pepflip sel |
| 9773 | | |
| 9774 | | Flipping the peptide bond for 1 residues |
| 9775 | | |
| 9776 | | > select clear |
| 9777 | | |
| 9778 | | [Repeated 2 time(s)] |
| 9779 | | |
| 9780 | | > ui tool show "Ramachandran Plot" |
| 9781 | | |
| 9782 | | > select clear |
| 9783 | | |
| 9784 | | [Repeated 2 time(s)] |
| 9785 | | |
| 9786 | | > isolde pepflip sel |
| 9787 | | |
| 9788 | | Flipping the peptide bond for 1 residues |
| 9789 | | |
| 9790 | | > select clear |
| 9791 | | |
| 9792 | | [Repeated 1 time(s)] |
| 9793 | | |
| 9794 | | > isolde pepflip sel |
| 9795 | | |
| 9796 | | Flipping the peptide bond for 1 residues |
| 9797 | | |
| 9798 | | > isolde pepflip sel |
| 9799 | | |
| 9800 | | Flipping the peptide bond for 1 residues |
| 9801 | | |
| 9802 | | > isolde pepflip sel |
| 9803 | | |
| 9804 | | Flipping the peptide bond for 1 residues |
| 9805 | | |
| 9806 | | > select clear |
| 9807 | | |
| 9808 | | > isolde sim pause |
| 9809 | | |
| 9810 | | > isolde sim resume |
| 9811 | | |
| 9812 | | > isolde sim stop |
| 9813 | | |
| 9814 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 9815 | | chains... |
| 9816 | | ISOLDE: stopped sim |
| 9817 | | |
| 9818 | | > select #1/o:74-81|/o:12 |
| 9819 | | |
| 9820 | | 140 atoms, 138 bonds, 9 residues, 1 model selected |
| 9821 | | |
| 9822 | | > isolde sim start sel |
| 9823 | | |
| 9824 | | ISOLDE: started sim |
| 9825 | | |
| 9826 | | > isolde pepflip sel |
| 9827 | | |
| 9828 | | Flipping the peptide bond for 1 residues |
| 9829 | | |
| 9830 | | Multiple residues selected! Going to the first... |
| 9831 | | |
| 9832 | | > view #1/o:74 |
| 9833 | | |
| 9834 | | > select clear |
| 9835 | | |
| 9836 | | [Repeated 3 time(s)] |
| 9837 | | |
| 9838 | | > ui tool show "Ramachandran Plot" |
| 9839 | | |
| 9840 | | > isolde pepflip sel |
| 9841 | | |
| 9842 | | Flipping the peptide bond for 1 residues |
| 9843 | | |
| 9844 | | > isolde pepflip sel |
| 9845 | | |
| 9846 | | Flipping the peptide bond for 1 residues |
| 9847 | | |
| 9848 | | > select clear |
| 9849 | | |
| 9850 | | > isolde pepflip sel |
| 9851 | | |
| 9852 | | Flipping the peptide bond for 1 residues |
| 9853 | | |
| 9854 | | > select clear |
| 9855 | | |
| 9856 | | > ui tool show "Ramachandran Plot" |
| 9857 | | |
| 9858 | | > view #1/o:74 |
| 9859 | | |
| 9860 | | > select clear |
| 9861 | | |
| 9862 | | > ui tool show "Ramachandran Plot" |
| 9863 | | |
| 9864 | | > select clear |
| 9865 | | |
| 9866 | | [Repeated 1 time(s)]Traceback (most recent call last): |
| 9867 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9868 | | packages/matplotlib/cbook/__init__.py", line 287, in process |
| 9869 | | func(*args, **kwargs) |
| 9870 | | File "/srv/home/leonardo/.local/share/ChimeraX/1.4/site- |
| 9871 | | packages/chimerax/isolde/validation/ramaplot/ramaplot.py", line 292, in |
| 9872 | | on_resize |
| 9873 | | c.draw() |
| 9874 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9875 | | packages/matplotlib/backends/backend_agg.py", line 436, in draw |
| 9876 | | self.figure.draw(self.renderer) |
| 9877 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9878 | | packages/matplotlib/artist.py", line 73, in draw_wrapper |
| 9879 | | result = draw(artist, renderer, *args, **kwargs) |
| 9880 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9881 | | packages/matplotlib/artist.py", line 50, in draw_wrapper |
| 9882 | | return draw(artist, renderer) |
| 9883 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9884 | | packages/matplotlib/figure.py", line 2796, in draw |
| 9885 | | artists = self._get_draw_artists(renderer) |
| 9886 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9887 | | packages/matplotlib/figure.py", line 238, in _get_draw_artists |
| 9888 | | ax.apply_aspect() |
| 9889 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9890 | | packages/matplotlib/axes/_base.py", line 1890, in apply_aspect |
| 9891 | | pb1 = pb.shrunk_to_aspect(box_aspect, pb, fig_aspect) |
| 9892 | | File "/usr/lib/ucsf-chimerax/lib/python3.9/site- |
| 9893 | | packages/matplotlib/transforms.py", line 558, in shrunk_to_aspect |
| 9894 | | raise ValueError("'box_aspect' and 'fig_aspect' must be positive") |
| 9895 | | ValueError: 'box_aspect' and 'fig_aspect' must be positive |
| 9896 | | |
| 9897 | | > select clear |
| 9898 | | |
| 9899 | | > isolde pepflip sel |
| 9900 | | |
| 9901 | | Flipping the peptide bond for 1 residues |
| 9902 | | |
| 9903 | | > isolde pepflip sel |
| 9904 | | |
| 9905 | | Flipping the peptide bond for 1 residues |
| 9906 | | |
| 9907 | | > select clear |
| 9908 | | |
| 9909 | | [Repeated 1 time(s)] |
| 9910 | | |
| 9911 | | > view #1/o:74 |
| 9912 | | |
| 9913 | | > isolde sim pause |
| 9914 | | |
| 9915 | | > ui tool show "Ramachandran Plot" |
| 9916 | | |
| 9917 | | > isolde sim resume |
| 9918 | | |
| 9919 | | > ui tool show "Ramachandran Plot" |
| 9920 | | |
| 9921 | | > select clear |
| 9922 | | |
| 9923 | | > ui tool show "Ramachandran Plot" |
| 9924 | | |
| 9925 | | > isolde sim pause |
| 9926 | | |
| 9927 | | > ui tool show "Ramachandran Plot" |
| 9928 | | |
| 9929 | | > view #1/o:74 |
| 9930 | | |
| 9931 | | > isolde sim resume |
| 9932 | | |
| 9933 | | > ui tool show "Ramachandran Plot" |
| 9934 | | |
| 9935 | | > isolde sim pause |
| 9936 | | |
| 9937 | | > isolde sim stop |
| 9938 | | |
| 9939 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 9940 | | chains... |
| 9941 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 9942 | | standards. |
| 9943 | | ISOLDE: stopped sim |
| 9944 | | |
| 9945 | | > isolde sim start sel |
| 9946 | | |
| 9947 | | ISOLDE: started sim |
| 9948 | | |
| 9949 | | > ui tool show "Ramachandran Plot" |
| 9950 | | |
| 9951 | | > select clear |
| 9952 | | |
| 9953 | | > isolde sim stop |
| 9954 | | |
| 9955 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 9956 | | chains... |
| 9957 | | ISOLDE: stopped sim |
| 9958 | | |
| 9959 | | > view #1/o:74 |
| 9960 | | |
| 9961 | | > view #1/o:74-81|/o:12 |
| 9962 | | |
| 9963 | | > select #1/o:74-81|/o:12 |
| 9964 | | |
| 9965 | | 140 atoms, 138 bonds, 9 residues, 1 model selected |
| 9966 | | |
| 9967 | | > isolde sim start sel |
| 9968 | | |
| 9969 | | ISOLDE: started sim |
| 9970 | | |
| 9971 | | > ui tool show "Ramachandran Plot" |
| 9972 | | |
| 9973 | | > select clear |
| 9974 | | |
| 9975 | | > isolde sim stop |
| 9976 | | |
| 9977 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 9978 | | chains... |
| 9979 | | ISOLDE: stopped sim |
| 9980 | | |
| 9981 | | > select #1/o:74 |
| 9982 | | |
| 9983 | | 11 atoms, 10 bonds, 1 residue, 1 model selected |
| 9984 | | |
| 9985 | | > view #1/o:74 |
| 9986 | | |
| 9987 | | > isolde sim start sel |
| 9988 | | |
| 9989 | | ISOLDE: started sim |
| 9990 | | |
| 9991 | | > ui tool show "Ramachandran Plot" |
| 9992 | | |
| 9993 | | [Repeated 1 time(s)] |
| 9994 | | |
| 9995 | | > select clear |
| 9996 | | |
| 9997 | | > ui tool show "Ramachandran Plot" |
| 9998 | | |
| 9999 | | > isolde sim stop |
| 10000 | | |
| 10001 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 10002 | | chains... |
| 10003 | | ISOLDE: stopped sim |
| 10004 | | |
| 10005 | | > ui tool show "Ramachandran Plot" |
| 10006 | | |
| 10007 | | > isolde sim start sel |
| 10008 | | |
| 10009 | | ISOLDE: started sim |
| 10010 | | |
| 10011 | | > ui tool show "Ramachandran Plot" |
| 10012 | | |
| 10013 | | > select clear |
| 10014 | | |
| 10015 | | > ui tool show "Ramachandran Plot" |
| 10016 | | |
| 10017 | | [Repeated 1 time(s)] |
| 10018 | | |
| 10019 | | > isolde sim stop |
| 10020 | | |
| 10021 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 10022 | | chains... |
| 10023 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 10024 | | standards. |
| 10025 | | ISOLDE: stopped sim |
| 10026 | | |
| 10027 | | > ui tool show "Ramachandran Plot" |
| 10028 | | |
| 10029 | | > isolde sim start sel |
| 10030 | | |
| 10031 | | ISOLDE: started sim |
| 10032 | | |
| 10033 | | > select clear |
| 10034 | | |
| 10035 | | > ui tool show "Ramachandran Plot" |
| 10036 | | |
| 10037 | | > isolde sim pause |
| 10038 | | |
| 10039 | | > isolde sim resume |
| 10040 | | |
| 10041 | | > isolde pepflip sel |
| 10042 | | |
| 10043 | | Flipping the peptide bond for 1 residues |
| 10044 | | |
| 10045 | | > isolde pepflip sel |
| 10046 | | |
| 10047 | | Flipping the peptide bond for 1 residues |
| 10048 | | |
| 10049 | | > isolde pepflip sel |
| 10050 | | |
| 10051 | | Flipping the peptide bond for 1 residues |
| 10052 | | |
| 10053 | | > isolde pepflip sel |
| 10054 | | |
| 10055 | | Flipping the peptide bond for 1 residues |
| 10056 | | |
| 10057 | | > select clear |
| 10058 | | |
| 10059 | | > isolde pepflip sel |
| 10060 | | |
| 10061 | | Flipping the peptide bond for 1 residues |
| 10062 | | |
| 10063 | | > isolde pepflip sel |
| 10064 | | |
| 10065 | | Flipping the peptide bond for 1 residues |
| 10066 | | |
| 10067 | | > select clear |
| 10068 | | |
| 10069 | | [Repeated 2 time(s)] |
| 10070 | | |
| 10071 | | > ui tool show "Ramachandran Plot" |
| 10072 | | |
| 10073 | | > select clear |
| 10074 | | |
| 10075 | | [Repeated 1 time(s)] |
| 10076 | | |
| 10077 | | > view #1/l:33 |
| 10078 | | |
| 10079 | | > select clear |
| 10080 | | |
| 10081 | | [Repeated 1 time(s)] |
| 10082 | | |
| 10083 | | > isolde pepflip sel |
| 10084 | | |
| 10085 | | Flipping the peptide bond for 1 residues |
| 10086 | | |
| 10087 | | > select clear |
| 10088 | | |
| 10089 | | > ui tool show "Ramachandran Plot" |
| 10090 | | |
| 10091 | | > select clear |
| 10092 | | |
| 10093 | | > isolde sim pause |
| 10094 | | |
| 10095 | | > isolde sim resume |
| 10096 | | |
| 10097 | | > ui tool show "Ramachandran Plot" |
| 10098 | | |
| 10099 | | > isolde sim pause |
| 10100 | | |
| 10101 | | > isolde sim stop |
| 10102 | | |
| 10103 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 10104 | | chains... |
| 10105 | | ISOLDE: Corrected atom nomenclature of 3 residues in model #1.2 to IUPAC-IUB |
| 10106 | | standards. |
| 10107 | | ISOLDE: stopped sim |
| 10108 | | |
| 10109 | | > isolde sim start sel |
| 10110 | | |
| 10111 | | ISOLDE: started sim |
| 10112 | | |
| 10113 | | > ui tool show "Ramachandran Plot" |
| 10114 | | |
| 10115 | | > select clear |
| 10116 | | |
| 10117 | | > isolde sim pause |
| 10118 | | |
| 10119 | | > isolde sim resume |
| 10120 | | |
| 10121 | | > ui tool show "Ramachandran Plot" |
| 10122 | | |
| 10123 | | > select clear |
| 10124 | | |
| 10125 | | > isolde pepflip sel |
| 10126 | | |
| 10127 | | Flipping the peptide bond for 1 residues |
| 10128 | | |
| 10129 | | > isolde pepflip sel |
| 10130 | | |
| 10131 | | Flipping the peptide bond for 1 residues |
| 10132 | | |
| 10133 | | > isolde pepflip sel |
| 10134 | | |
| 10135 | | Flipping the peptide bond for 1 residues |
| 10136 | | |
| 10137 | | > ui tool show "Ramachandran Plot" |
| 10138 | | |
| 10139 | | > select clear |
| 10140 | | |
| 10141 | | > ui tool show "Ramachandran Plot" |
| 10142 | | |
| 10143 | | > select clear |
| 10144 | | |
| 10145 | | > isolde pepflip sel |
| 10146 | | |
| 10147 | | Flipping the peptide bond for 1 residues |
| 10148 | | |
| 10149 | | > isolde pepflip sel |
| 10150 | | |
| 10151 | | Flipping the peptide bond for 1 residues |
| 10152 | | |
| 10153 | | > ui tool show "Ramachandran Plot" |
| 10154 | | |
| 10155 | | > select clear |
| 10156 | | |
| 10157 | | [Repeated 1 time(s)] |
| 10158 | | |
| 10159 | | > isolde sim stop |
| 10160 | | |
| 10161 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 10162 | | chains... |
| 10163 | | ISOLDE: stopped sim |
| 10164 | | |
| 10165 | | > view #1/l:33 |
| 10166 | | |
| 10167 | | > select #1/l:33 |
| 10168 | | |
| 10169 | | 17 atoms, 16 bonds, 1 residue, 1 model selected |
| 10170 | | |
| 10171 | | > isolde sim start sel |
| 10172 | | |
| 10173 | | ISOLDE: started sim |
| 10174 | | |
| 10175 | | > ui tool show "Ramachandran Plot" |
| 10176 | | |
| 10177 | | > select clear |
| 10178 | | |
| 10179 | | > ui tool show "Ramachandran Plot" |
| 10180 | | |
| 10181 | | > isolde sim stop |
| 10182 | | |
| 10183 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 10184 | | chains... |
| 10185 | | ISOLDE: stopped sim |
| 10186 | | |
| 10187 | | > isolde sim start sel |
| 10188 | | |
| 10189 | | ISOLDE: started sim |
| 10190 | | |
| 10191 | | > select clear |
| 10192 | | |
| 10193 | | > ui tool show "Ramachandran Plot" |
| 10194 | | |
| 10195 | | > isolde pepflip sel |
| 10196 | | |
| 10197 | | Flipping the peptide bond for 1 residues |
| 10198 | | |
| 10199 | | > select clear |
| 10200 | | |
| 10201 | | [Repeated 2 time(s)] |
| 10202 | | |
| 10203 | | > ui tool show "Ramachandran Plot" |
| 10204 | | |
| 10205 | | [Repeated 2 time(s)] |
| 10206 | | |
| 10207 | | > select clear |
| 10208 | | |
| 10209 | | > ui tool show "Ramachandran Plot" |
| 10210 | | |
| 10211 | | > isolde sim pause |
| 10212 | | |
| 10213 | | > isolde sim resume |
| 10214 | | |
| 10215 | | > ui tool show "Ramachandran Plot" |
| 10216 | | |
| 10217 | | > isolde sim stop |
| 10218 | | |
| 10219 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 10220 | | chains... |
| 10221 | | ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB |
| 10222 | | standards. |
| 10223 | | ISOLDE: stopped sim |
| 10224 | | |
| 10225 | | > view #1/l:33 |
| 10226 | | |
| 10227 | | > select #1/l:33 |
| 10228 | | |
| 10229 | | 17 atoms, 16 bonds, 1 residue, 1 model selected |
| 10230 | | |
| 10231 | | > isolde sim start sel |
| 10232 | | |
| 10233 | | ISOLDE: started sim |
| 10234 | | |
| 10235 | | > ui tool show "Ramachandran Plot" |
| 10236 | | |
| 10237 | | > select clear |
| 10238 | | |
| 10239 | | > ui tool show "Ramachandran Plot" |
| 10240 | | |
| 10241 | | > isolde sim stop |
| 10242 | | |
| 10243 | | ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side |
| 10244 | | chains... |
| 10245 | | ISOLDE: stopped sim |
| 10246 | | |
| 10247 | | > ui tool show "Ramachandran Plot" |
| 10248 | | |
| 10249 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 10250 | | > mut8-no-C-ter/20-3-continuingNew-FirstSteps-RefiningBEFORE-Annealing- |
| 10251 | | > step20-3-afterStep1d2.cxs |
| 10252 | | |
| 10253 | | Taking snapshot of stepper: 5opt-concatenated-Map-Mut8-40S-noCter.pdb |
| 10254 | | |
| 10255 | | > save /srv/home/leonardo/Documents/KSRP/Structures-maps-wt-mutants/KSRP- |
| 10256 | | > mut8-no-C-ter/20-3-continuingNew-FirstSteps-RefiningBEFORE-Annealing- |
| 10257 | | > step20-3-afterStep1d2.pdb |
| 10258 | | |
| 10259 | | > ui tool show "Ramachandran Plot" |
| 10260 | | |
| 10261 | | > isolde sim start sel |
| 10262 | | |
| 10263 | | ISOLDE: started sim |
| 10264 | | |
| 10265 | | > select clear |
| 10266 | | |
| 10267 | | > isolde sim pause |
| 10268 | | |
| 10269 | | > select clear |
| 10270 | | |
| 10271 | | > isolde sim resume |
| 10272 | | |
| 10273 | | > select clear |
| 10274 | | |
| 10275 | | > ui tool show "Ramachandran Plot" |
| 10276 | | |
| 10277 | | > select clear |
| 10278 | | |
| 10279 | | > isolde sim pause |
| 10280 | | |
| 10281 | | > isolde sim resume |
| 10282 | | |
| 10283 | | > ui tool show "Ramachandran Plot" |
| | 4925 | |
| | 4926 | [had to delete part of log to fit within ticket limits] |