Opened 4 years ago
Closed 4 years ago
#5498 closed defect (not a bug)
Discontinuous secondary structure
Reported by: | Owned by: | pett | |
---|---|---|---|
Priority: | normal | Milestone: | |
Component: | Depiction | Version: | |
Keywords: | Cc: | ||
Blocked By: | Blocking: | ||
Notify when closed: | Platform: | all | |
Project: | ChimeraX |
Description
The following bug report has been submitted: Platform: macOS-10.16-x86_64-i386-64bit ChimeraX Version: 1.3.dev202110271145 (2021-10-27 11:45:32 UTC) Description Ribbons do not connect even when forced using e.g., "setattr #1.1:130-137 res ss_type 2". I am trying to beautify a model I have made - it depicts ribbons nicely in PyMOL but ChimeraX shows some as loops. When I use "setattr" encompassing the entire region I want modelled as a continuous beta strand, ChimeraX places several discontinuous ribbons, and i cannot seem to get them connected, even if i set the entire stretch to "type 0"/loop first and then afterwords set the region to "type 2"/sheet (see screen shots - in sequence from A-D). Log: UCSF ChimeraX version: 1.3.dev202110271145 (2021-10-27) © 2016-2021 Regents of the University of California. All rights reserved. How to cite UCSF ChimeraX > open "/Volumes/Labs/Kelm/General/Andrea > Foote/PyMOL:Chimera:Modeling/PurB_2018.pdb" format pdb Chain information for PurB_2018.pdb #1 --- Chain | Description A B | No description available > setattr :243-250 res ss_type 0 Assigning ss_type attribute to 16 items > setattr :243-250 res ss_type 2 Assigning ss_type attribute to 16 items > show seq Expected a collection of one of 'atoms', 'bonds', 'cartoons', 'models', 'pbonds', 'pseudobonds', 'ribbons', or 'surfaces' or a keyword > Incomplete command: sequence > sequence chain Missing or invalid "chains" argument: empty atom specifier > A Unknown command: sequence A > /A Unknown command: sequence /A > sequence chain Missing or invalid "chains" argument: empty atom specifier > sequence chain Missing or invalid "chains" argument: empty atom specifier > sequence chainn Missing or invalid "chains" argument: empty atom specifier > 123angle 123angle is provided by the uninstalled bundle SEQCROW versions 0.13 – 0.15 > Unknown command: sequence #1 > Unknown command: sequence #1 > open 5fgp 5fgp title: Crystal structure of D. melanogaster Pur-alpha repeat I-II in complex with DNA. [more info...] Chain information for 5fgp #2 --- Chain | Description | UniProt A | CG1507-PB, isoform B | Q9V4D9_DROME B | DNA | Non-standard residues in 5fgp #2 --- CL — chloride ion SO4 — sulfate ion > ui tool show "Show Sequence Viewer" > sequence chain #1/A Alignment identifier is 1/A > ui tool show "Show Sequence Viewer" > sequence chain #1/A #1/B Alignment identifier is 1 > ui tool show "Show Sequence Viewer" > sequence chain #2/A Alignment identifier is 2/A > ui tool show "Show Sequence Viewer" > uniprot Unknown command: uniprot > fetch uniprot Unknown command: fetch uniprot > select #2 1443 atoms, 1352 bonds, 279 residues, 1 model selected > uniprot Unknown command: uniprot > uniprot 5fgp Unknown command: uniprot 5fgp > open uniprot 'uniprot' has no suffix > open uniprot 5fgp 'uniprot' has no suffix > open 5fgo Summary of feedback from opening 5fgo fetched from pdb --- note | Fetching compressed mmCIF 5fgo from http://files.rcsb.org/download/5fgo.cif 5fgo title: Crystal structure of D. melanogaster Pur-alpha repeat III. [more info...] Chain information for 5fgo #3 --- Chain | Description | UniProt A B C D E F | CG1507-PB, isoform B | Q9V4D9_DROME Non-standard residues in 5fgo #3 --- CL — chloride ion 5fgo mmCIF Assemblies --- 1| author_and_software_defined_assembly 2| author_and_software_defined_assembly 3| author_and_software_defined_assembly > hide sel surfaces [Repeated 1 time(s)] > show sel cartoons > select #3 3471 atoms, 3372 bonds, 553 residues, 1 model selected > hide sel surfaces [Repeated 1 time(s)] > show sel cartoons > hide sel atoms > align #2 toAtoms #3 Unequal number of atoms to pair, 1443 and 3471 > show #3 target m > align #2/AB toAtoms #3 Unequal number of atoms to pair, 0 and 3471 > align #2.1-2 toAtoms #3 Unequal number of atoms to pair, 0 and 3471 > align 2.1-2 and 3 Missing or invalid "atoms" argument: invalid atoms specifier > align #2 toAtoms #3.1-2 Unequal number of atoms to pair, 1443 and 0 > align #2 toAtoms #3.1 Unequal number of atoms to pair, 1443 and 0 > ~select #3 Nothing selected > select #3 3471 atoms, 3372 bonds, 553 residues, 1 model selected > view #3 clip false > sym #3 5fgo mmCIF Assemblies --- 1| author_and_software_defined_assembly| 1 copy of chains A,B 2| author_and_software_defined_assembly| 1 copy of chains C,D 3| author_and_software_defined_assembly| 1 copy of chains E,F > log metadata #3 Metadata for 5fgo #3 --- Title | Crystal structure of D. melanogaster Pur-alpha repeat III. Citation | Weber, J., Bao, H., Hartlmuller, C., Wang, Z., Windhager, A., Janowski, R., Madl, T., Jin, P., Niessing, D. (2016). Structural basis of nucleic-acid recognition and double-strand unwinding by the essential neuronal protein Pur-alpha. Elife, 5. PMID: 26744780. DOI: 10.7554/eLife.11297 Non-standard residue | CL — chloride ion Gene source | Drosophila melanogaster (fruit fly) Experimental method | X-ray diffraction Resolution | 2.6Å > log chains #3 Chain information for 5fgo #3 --- Chain | Description | UniProt A B C D E F | CG1507-PB, isoform B | Q9V4D9_DROME > align #2/A toAtoms #3.1 Unequal number of atoms to pair, 1274 and 0 > align #2 toAtoms #3 Unequal number of atoms to pair, 1443 and 3471 > align #2 toAtoms #3/AB Unequal number of atoms to pair, 1443 and 0 > align #2 toAtoms #3/A-B Unequal number of atoms to pair, 1443 and 1154 > ~select #3 Nothing selected > hide #2 models > hide #3 models > color byattribute chain No known/registered attribute chain > split chains Split PurB_2018.pdb (#1) into 2 models Split 5fgp (#2) into 2 models Split 5fgo (#3) into 6 models Chain information for PurB_2018.pdb A #1.1 --- Chain | Description A | No description available Chain information for PurB_2018.pdb B #1.2 --- Chain | Description B | No description available Chain information for 5fgp A #2.1 --- Chain | Description A | No description available Chain information for 5fgp B #2.2 --- Chain | Description B | No description available Chain information for 5fgo A #3.1 --- Chain | Description A | No description available Chain information for 5fgo B #3.2 --- Chain | Description B | No description available Chain information for 5fgo C #3.3 --- Chain | Description C | No description available Chain information for 5fgo D #3.4 --- Chain | Description D | No description available Chain information for 5fgo E #3.5 --- Chain | Description E | No description available Chain information for 5fgo F #3.6 --- Chain | Description F | No description available > hide #1.1 models > show #1.1 models > hide #1.2 models > show #1.2 models > color #1.1 #dba945 > color #1.1 #db876a > color #1.2 #7fdba2 > color #1.2 #94b2db > color #1.2 #639edb > color #1.1 #e3abdd > color #1.1 #c666e3 > color #1.1 #e35dd3 > color #1.1 #d5e388 > color #1.1 #d3e36c > ui mousemode right select > select clear > select #1.2/B:42 9 atoms, 8 bonds, 1 residue, 1 model selected > select add #1.2/B:88 15 atoms, 13 bonds, 2 residues, 1 model selected > select clear > select #1.2/B:42 9 atoms, 8 bonds, 1 residue, 1 model selected > select #1.2/B:89 8 atoms, 7 bonds, 1 residue, 1 model selected > select #1.2/B:43 7 atoms, 6 bonds, 1 residue, 1 model selected > select add #1.2/B:88 13 atoms, 11 bonds, 2 residues, 1 model selected > select clear [Repeated 6 time(s)] > select #1.2/B:44 9 atoms, 8 bonds, 1 residue, 1 model selected > select #1.2/B:88 6 atoms, 5 bonds, 1 residue, 1 model selected > select clear [Repeated 1 time(s)] > select #1.2/B:65 8 atoms, 7 bonds, 1 residue, 1 model selected > select up 72 atoms, 73 bonds, 8 residues, 1 model selected > select up 2390 atoms, 2433 bonds, 324 residues, 1 model selected > select down 72 atoms, 73 bonds, 8 residues, 1 model selected > select down 8 atoms, 7 bonds, 1 residue, 1 model selected > select up 72 atoms, 73 bonds, 8 residues, 1 model selected > select add #1.2/B:68 76 atoms, 76 bonds, 9 residues, 1 model selected > select up 148 atoms, 149 bonds, 18 residues, 1 model selected > select #1.2/B:78 5 atoms, 4 bonds, 1 residue, 1 model selected > select clear > select #1.2/B:46 8 atoms, 7 bonds, 1 residue, 1 model selected > select up 277 atoms, 281 bonds, 46 residues, 1 model selected > select down 8 atoms, 7 bonds, 1 residue, 1 model selected > select down 8 atoms, 7 bonds, 1 residue, 1 model selected > select down 8 atoms, 7 bonds, 1 residue, 1 model selected > select up 277 atoms, 281 bonds, 46 residues, 1 model selected > select down 8 atoms, 7 bonds, 1 residue, 1 model selected > select add #1.2/B:47 13 atoms, 11 bonds, 2 residues, 1 model selected > select up 316 atoms, 320 bonds, 51 residues, 1 model selected > select down 13 atoms, 11 bonds, 2 residues, 1 model selected > select up 316 atoms, 320 bonds, 51 residues, 1 model selected > select down 13 atoms, 11 bonds, 2 residues, 1 model selected > select add #1.2/B:51 21 atoms, 18 bonds, 3 residues, 1 model selected > select up 316 atoms, 320 bonds, 51 residues, 1 model selected > select down 21 atoms, 18 bonds, 3 residues, 1 model selected > select clear > select #1.2/B:47 5 atoms, 4 bonds, 1 residue, 1 model selected > select up 39 atoms, 38 bonds, 5 residues, 1 model selected > select #1.2/B:52 8 atoms, 7 bonds, 1 residue, 1 model selected > select #1.2/B:47 5 atoms, 4 bonds, 1 residue, 1 model selected > select up 39 atoms, 38 bonds, 5 residues, 1 model selected > select add #1.2/B:52 47 atoms, 45 bonds, 6 residues, 1 model selected > select up 92 atoms, 91 bonds, 11 residues, 1 model selected > select add #1.2/B:58 103 atoms, 102 bonds, 12 residues, 1 model selected > select up 164 atoms, 165 bonds, 19 residues, 1 model selected > select up 2390 atoms, 2433 bonds, 324 residues, 1 model selected > select down 164 atoms, 165 bonds, 19 residues, 1 model selected > select subtract #1.2/B:65 156 atoms, 158 bonds, 18 residues, 1 model selected > select add #1.2/B:65 164 atoms, 165 bonds, 19 residues, 1 model selected > select add #1.2/B:66 169 atoms, 169 bonds, 20 residues, 1 model selected > select up 178 atoms, 179 bonds, 21 residues, 1 model selected > select add #1.2/B:68 182 atoms, 182 bonds, 22 residues, 1 model selected > select up 254 atoms, 256 bonds, 31 residues, 1 model selected > select add #1.2/B:78 259 atoms, 260 bonds, 32 residues, 1 model selected > select up 267 atoms, 269 bonds, 34 residues, 1 model selected > select add #1.2/B:81 273 atoms, 274 bonds, 35 residues, 1 model selected > select up 328 atoms, 330 bonds, 42 residues, 1 model selected > select add #1.2/B:89 336 atoms, 337 bonds, 43 residues, 1 model selected > select up 478 atoms, 484 bonds, 61 residues, 1 model selected > select add #1.2/B:46 486 atoms, 491 bonds, 62 residues, 1 model selected > select add #1.2/B:45 495 atoms, 499 bonds, 63 residues, 1 model selected > select add #1.2/B:44 504 atoms, 507 bonds, 64 residues, 1 model selected > select add #1.2/B:43 511 atoms, 513 bonds, 65 residues, 1 model selected > select add #1.2/B:42 520 atoms, 521 bonds, 66 residues, 1 model selected > select add #1.2/B:108 529 atoms, 529 bonds, 67 residues, 1 model selected > select add #1.2/B:109 537 atoms, 536 bonds, 68 residues, 1 model selected > create II sele Unknown command: create II sele Drag select of 84 residues Drag select of 24 residues > select clear Drag select of 11 residues Drag select of 12 residues > select up 531 atoms, 538 bonds, 77 residues, 1 model selected Drag select of 37 residues > select subtract #1.1/A:19 321 atoms, 535 bonds, 39 residues, 1 model selected > select subtract #1.1/A:20 314 atoms, 528 bonds, 38 residues, 1 model selected > select subtract #1.1/A:40 305 atoms, 520 bonds, 37 residues, 1 model selected > select subtract #1.1/A:41 296 atoms, 512 bonds, 36 residues, 1 model selected > select add #1.1/A:78 301 atoms, 516 bonds, 37 residues, 1 model selected > select up 515 atoms, 517 bonds, 78 residues, 1 model selected > select down 301 atoms, 516 bonds, 37 residues, 1 model selected > select add #1.1/A:79 305 atoms, 519 bonds, 38 residues, 1 model selected > select add #1.1/A:80 309 atoms, 522 bonds, 39 residues, 1 model selected > select add #1.1/A:81 315 atoms, 527 bonds, 40 residues, 1 model selected > select up 529 atoms, 531 bonds, 81 residues, 1 model selected > select down 315 atoms, 527 bonds, 40 residues, 1 model selected > select add #1.1/A:82 324 atoms, 535 bonds, 41 residues, 1 model selected > select up 538 atoms, 540 bonds, 82 residues, 1 model selected > select down 324 atoms, 535 bonds, 41 residues, 1 model selected Drag select of 4 residues > select add #1.1/A:82 349 atoms, 535 bonds, 44 residues, 1 model selected > select add #1.1/A:86 356 atoms, 541 bonds, 45 residues, 1 model selected > select add #1.1/A:87 364 atoms, 548 bonds, 46 residues, 1 model selected > select add #1.1/A:88 370 atoms, 553 bonds, 47 residues, 1 model selected > show target m [Repeated 1 time(s)] > hide target m > show #!1 models > show #1.1 models > hide #!1 models > show #!1 models Drag select of 5 residues > select add #1.1/A:88 393 atoms, 553 bonds, 51 residues, 1 model selected > select add #1.1/A:108 402 atoms, 561 bonds, 52 residues, 1 model selected > select clear > ui tool show "Blast Protein" > ui tool show "Model Loops" > ui tool show "Modeller Comparative" > ui tool show "Show Sequence Viewer" > sequence chain #2.1/A Alignment identifier is 2.1/A > select #2.1/A:41 9 atoms, 8 bonds, 1 residue, 1 model selected > select #2.1/A:41-52 98 atoms, 97 bonds, 12 residues, 1 model selected > ui tool show "Show Sequence Viewer" > sequence chain #1.1/A Alignment identifier is 1.1/A > select #1.1/A:2 5 atoms, 4 bonds, 1 residue, 1 model selected > select #1.1/A:2-5 25 atoms, 24 bonds, 4 residues, 1 model selected > select #1.1/A:2-5,9-17 73 atoms, 71 bonds, 13 residues, 1 model selected > select #1.1/A:2-5,9-17,23-33 143 atoms, 143 bonds, 24 residues, 1 model selected > select clear > select #1.1/A:19-20 11 atoms, 11 bonds, 2 residues, 1 model selected > select #1.1/A:19-24 39 atoms, 40 bonds, 6 residues, 1 model selected > select #1.1/A:28 11 atoms, 10 bonds, 1 residue, 1 model selected > select #1.1/A:28-36 43 atoms, 42 bonds, 9 residues, 1 model selected > select clear [Repeated 2 time(s)] > select #1.1/A:155 11 atoms, 11 bonds, 1 residue, 1 model selected > select #1.1/A:155-164 91 atoms, 91 bonds, 10 residues, 1 model selected > select #1.1/A:19-24 39 atoms, 40 bonds, 6 residues, 1 model selected > select #1.1/A:27-28 18 atoms, 18 bonds, 2 residues, 1 model selected > select #1.1/A:27-32 34 atoms, 34 bonds, 6 residues, 1 model selected > select #1.1/A:38 4 atoms, 3 bonds, 1 residue, 1 model selected > select #1.1/A:38-44 51 atoms, 50 bonds, 7 residues, 1 model selected > select #1.1/A:27-32 34 atoms, 34 bonds, 6 residues, 1 model selected > select #1.1/A:19-24 39 atoms, 40 bonds, 6 residues, 1 model selected > ui tool show "Show Sequence Viewer" > sequence chain #1.1/A Destroying pre-existing alignment with identifier 1.1/A Alignment identifier is 1.1/A > select #1.1/A:10 11 atoms, 10 bonds, 1 residue, 1 model selected > select #1.1/A:10-16 35 atoms, 34 bonds, 7 residues, 1 model selected > select #1.1/A:22-23 15 atoms, 15 bonds, 2 residues, 1 model selected > select #1.1/A:22-32 70 atoms, 72 bonds, 11 residues, 1 model selected > select #1.1/A:10-16 35 atoms, 34 bonds, 7 residues, 1 model selected > select #1.1/A:22-32 70 atoms, 72 bonds, 11 residues, 1 model selected > select clear [Repeated 1 time(s)] > select #1.1/A:117-118 13 atoms, 12 bonds, 2 residues, 1 model selected > select #1.1/A:117-127 64 atoms, 64 bonds, 11 residues, 1 model selected > select #1.1/A:10 11 atoms, 10 bonds, 1 residue, 1 model selected > select #1.1/A:10-11 15 atoms, 14 bonds, 2 residues, 1 model selected > select clear > select #1.1/A:166 4 atoms, 3 bonds, 1 residue, 1 model selected > select #1.1/A:166-168 12 atoms, 11 bonds, 3 residues, 1 model selected > select #1.1/A:10-16 35 atoms, 34 bonds, 7 residues, 1 model selected > set bgColor white > color #1.1 #75bee6 > color #1.1 #70a9ff > show sel surfaces > select clear > show #!1.1 surfaces > transparency #1.1#!1 100 > graphics silhouettes true > lighting soft > graphics silhouettes false > graphics silhouettes true > lighting simple [Repeated 1 time(s)] > lighting soft > lighting full > lighting flat > lighting shadows true intensity 0.5 > graphics silhouettes false > select #1.1/A:15@O 1 atom, 1 residue, 1 model selected > select clear > hide #1.1.1 models > show #1.1.1 models > graphics silhouettes true > hide #!1.1 models > show #!1.1 models > select #1.1.1 2390 atoms, 324 residues, 1 model selected > ~select #1.1.1 1 model selected > select #1.1 2390 atoms, 2433 bonds, 324 residues, 1 model selected > ~select #1.1.1 2433 bonds, 2 models selected > graphics silhouettes false > select #1.1.1 2390 atoms, 324 residues, 1 model selected > select #1.1 2390 atoms, 2433 bonds, 324 residues, 1 model selected > ~select #1.1 1 model selected > select #1.1.1 2390 atoms, 324 residues, 1 model selected > graphics silhouettes true > select clear > lighting flat > lighting full > lighting soft > select #1.1.1 2390 atoms, 324 residues, 1 model selected > select #1.1 2390 atoms, 2433 bonds, 324 residues, 1 model selected > graphics silhouettes false > ~select #1.1 1 model selected > graphics silhouettes true > graphics silhouettes false > select #1.1.1 2390 atoms, 324 residues, 1 model selected > graphics silhouettes true > ~select #1.1.1 1 model selected > select #1.1.1 2390 atoms, 324 residues, 1 model selected > show #1.1.1 target m > hide #1.1.1 target m [Repeated 1 time(s)] > show #1.1.1 target m > hide #!1.1 models > show #!1.1 models > select #1.1 2390 atoms, 2433 bonds, 324 residues, 1 model selected > ~select #1.1.1 2433 bonds, 2 models selected > select #1.1 2390 atoms, 2433 bonds, 324 residues, 1 model selected > hide #1.1.1 target m > show #1.1.1 models > hide #!1.1 target m > show #!1.1 target m > tube helices Unknown command: tube helices > cylinders Unknown command: cylinders > ~surface > surface > ~cartoon > cartoon > select 1.1:1-210 Expected an objects specifier or a keyword > select #1.1:1-210 1530 atoms, 1554 bonds, 210 residues, 1 model selected > sticks Unknown command: sticks > spheres Unknown command: spheres > ~surface > surface and sele Expected an atoms specifier or a keyword > surface sele Expected an atoms specifier or a keyword > ~select Nothing selected > ~select Nothing selected > select 9694 atoms, 9590 bonds, 1480 residues, 13 models selected > select up 9694 atoms, 9590 bonds, 1480 residues, 23 models selected > select down 13 models selected > select up 3 models selected > select up 3 models selected > select up 3 models selected > select up 3 models selected > select up 3 models selected > select down 3 models selected > select down 3 models selected > select down 3 models selected > select down 3 models selected > select down 3 models selected > select down 3 models selected > select down 3 models selected > select up 3 models selected > select up 3 models selected > select up 3 models selected > select up 3 models selected > select up 3 models selected > select up 3 models selected > select up 3 models selected > select up 3 models selected > select up 3 models selected > select up 3 models selected > select up 3 models selected > select #2 1443 atoms, 1352 bonds, 279 residues, 3 models selected > select #1 4780 atoms, 4866 bonds, 648 residues, 3 models selected > ~select #1.2 2390 atoms, 2433 bonds, 324 residues, 4 models selected > select clear > select #1.1/A:197 5 atoms, 4 bonds, 1 residue, 1 model selected > select #1.1/A:201 8 atoms, 7 bonds, 1 residue, 1 model selected > select #1.1/A:200 9 atoms, 8 bonds, 1 residue, 1 model selected > select clear Drag select of 219 residues > select clear > help > show #!2.1 models > show #!2.2 models > show #!3 models > hide #!2 models > hide #!2.1 models > hide #!2.2 models > select #1.1/A:230 9 atoms, 8 bonds, 1 residue, 1 model selected > select add #1.1/A:232 16 atoms, 15 bonds, 2 residues, 2 models selected > select add #1.1/A:231 24 atoms, 22 bonds, 3 residues, 2 models selected > select add #1.1/A:233 33 atoms, 30 bonds, 4 residues, 2 models selected > select add #1.1/A:234 37 atoms, 33 bonds, 5 residues, 2 models selected > select add #1.1/A:235 44 atoms, 39 bonds, 6 residues, 2 models selected > select add #1.1/A:236 50 atoms, 44 bonds, 7 residues, 2 models selected > select up 230 atoms, 234 bonds, 36 residues, 2 models selected > select up 2390 atoms, 2433 bonds, 324 residues, 2 models selected > select up 2390 atoms, 2433 bonds, 324 residues, 2 models selected > select up 4780 atoms, 4866 bonds, 648 residues, 3 models selected > select down 2390 atoms, 2433 bonds, 324 residues, 3 models selected > select down 1 model selected > select down 230 atoms, 234 bonds, 36 residues, 1 model selected > select down 50 atoms, 44 bonds, 7 residues, 2 models selected > select down 50 atoms, 44 bonds, 7 residues, 2 models selected > select down 50 atoms, 44 bonds, 7 residues, 2 models selected > hide #!3 models > show #!3 models > hide #!1 models > show #!3.1 models > show #!3.2 models > show #!3.3 models > show #!3.4 models > show #!3.5 models > show #!3.6 models > hide #!3.3 models > hide #!3.4 models > hide #!3.5 models > hide #!3.6 models > hide #!3.1 models > hide #!3 models > show #!3 models > hide #!1.1 models > hide #1.1.1 models > select #3.2/B:200 9 atoms, 8 bonds, 1 residue, 1 model selected > select #3.2/B:192 8 atoms, 7 bonds, 1 residue, 1 model selected > setattr #3.2:192-200 res ss_type 2 Assigning ss_type attribute to 9 items > hide #!3 models > hide #!3.2 models > show #1.1.1 models > hide #1.1.1 models > select #1.1/A:133 6 atoms, 5 bonds, 1 residue, 1 model selected > select clear > select #1.1/A:130 5 atoms, 4 bonds, 1 residue, 1 model selected > select add #1.1/A:131 13 atoms, 11 bonds, 2 residues, 2 models selected > select add #1.1/A:132 22 atoms, 19 bonds, 3 residues, 2 models selected > select add #1.1/A:133 28 atoms, 24 bonds, 4 residues, 2 models selected > select add #1.1/A:134 37 atoms, 32 bonds, 5 residues, 2 models selected > select add #1.1/A:135 48 atoms, 43 bonds, 6 residues, 2 models selected > select add #1.1/A:136 56 atoms, 50 bonds, 7 residues, 2 models selected > select add #1.1/A:137 63 atoms, 56 bonds, 8 residues, 2 models selected > setattr #1.1:130-137 res ss_type 2 Assigning ss_type attribute to 8 items > setattr #1.1:130-137 res ss_type 0 Assigning ss_type attribute to 8 items > setattr #1.1:130-137 res ss_type 2 Assigning ss_type attribute to 8 items OpenGL version: 4.1 INTEL-16.1.12 OpenGL renderer: Intel(R) Iris(TM) Graphics 6100 OpenGL vendor: Intel Inc.Hardware: Hardware Overview: Model Name: MacBook Pro Model Identifier: MacBookPro12,1 Processor Name: Dual-Core Intel Core i5 Processor Speed: 2.7 GHz Number of Processors: 1 Total Number of Cores: 2 L2 Cache (per Core): 256 KB L3 Cache: 3 MB Hyper-Threading Technology: Enabled Memory: 16 GB System Firmware Version: 426.0.0.0.0 SMC Version (system): 2.28f7 Software: System Software Overview: System Version: macOS 11.2.3 (20D91) Kernel Version: Darwin 20.3.0 Time since boot: 1 day 8 minutes Graphics/Displays: Intel Iris Graphics 6100: Chipset Model: Intel Iris Graphics 6100 Type: GPU Bus: Built-In VRAM (Dynamic, Max): 1536 MB Vendor: Intel Device ID: 0x162b Revision ID: 0x0009 Metal Family: Supported, Metal GPUFamily macOS 1 Displays: LED Cinema Display: Display Type: LCD Resolution: 2048 x 1152 UI Looks like: 2048 x 1152 Framebuffer Depth: 30-Bit Color (ARGB2101010) Display Serial Number: 2A04244C6JL Main Display: Yes Mirror: Off Online: Yes Rotation: Supported Automatically Adjust Brightness: Yes Connection Type: Thunderbolt/DisplayPort Locale: (None, 'UTF-8') PyQt5 5.15.2, Qt 5.15.2 Installed Packages: alabaster: 0.7.12 appdirs: 1.4.4 appnope: 0.1.2 Babel: 2.9.1 backcall: 0.2.0 blockdiag: 2.0.1 certifi: 2021.5.30 cftime: 1.5.1 charset-normalizer: 2.0.7 ChimeraX-AddCharge: 1.1.4 ChimeraX-AddH: 2.1.10 ChimeraX-AlignmentAlgorithms: 2.0 ChimeraX-AlignmentHdrs: 3.2 ChimeraX-AlignmentMatrices: 2.0 ChimeraX-Alignments: 2.2.3 ChimeraX-AlphaFold: 1.0 ChimeraX-AltlocExplorer: 1.0.1 ChimeraX-AmberInfo: 1.0 ChimeraX-Arrays: 1.0 ChimeraX-Atomic: 1.31 ChimeraX-AtomicLibrary: 4.1.6 ChimeraX-AtomSearch: 2.0 ChimeraX-AtomSearchLibrary: 1.0 ChimeraX-AxesPlanes: 2.1 ChimeraX-BasicActions: 1.1 ChimeraX-BILD: 1.0 ChimeraX-BlastProtein: 2.0 ChimeraX-BondRot: 2.0 ChimeraX-BugReporter: 1.0 ChimeraX-BuildStructure: 2.6 ChimeraX-Bumps: 1.0 ChimeraX-BundleBuilder: 1.1 ChimeraX-ButtonPanel: 1.0 ChimeraX-CageBuilder: 1.0 ChimeraX-CellPack: 1.0 ChimeraX-Centroids: 1.2 ChimeraX-ChemGroup: 2.0 ChimeraX-Clashes: 2.2.1 ChimeraX-ColorActions: 1.0 ChimeraX-ColorGlobe: 1.0 ChimeraX-ColorKey: 1.5 ChimeraX-CommandLine: 1.1.5 ChimeraX-ConnectStructure: 2.0 ChimeraX-Contacts: 1.0 ChimeraX-Core: 1.3.dev202110271145 ChimeraX-CoreFormats: 1.1 ChimeraX-coulombic: 1.3.1 ChimeraX-Crosslinks: 1.0 ChimeraX-Crystal: 1.0 ChimeraX-CrystalContacts: 1.0 ChimeraX-DataFormats: 1.2.2 ChimeraX-Dicom: 1.0 ChimeraX-DistMonitor: 1.1.5 ChimeraX-Dssp: 2.0 ChimeraX-EMDB-SFF: 1.0 ChimeraX-ExperimentalCommands: 1.0 ChimeraX-FileHistory: 1.0 ChimeraX-FunctionKey: 1.0 ChimeraX-Geometry: 1.1 ChimeraX-gltf: 1.0 ChimeraX-Graphics: 1.1 ChimeraX-Hbonds: 2.1.2 ChimeraX-Help: 1.2 ChimeraX-HKCage: 1.3 ChimeraX-IHM: 1.1 ChimeraX-ImageFormats: 1.2 ChimeraX-IMOD: 1.0 ChimeraX-IO: 1.0.1 ChimeraX-ItemsInspection: 1.0 ChimeraX-Label: 1.1 ChimeraX-ListInfo: 1.1.1 ChimeraX-Log: 1.1.4 ChimeraX-LookingGlass: 1.1 ChimeraX-Maestro: 1.8.1 ChimeraX-Map: 1.1 ChimeraX-MapData: 2.0 ChimeraX-MapEraser: 1.0 ChimeraX-MapFilter: 2.0 ChimeraX-MapFit: 2.0 ChimeraX-MapSeries: 2.1 ChimeraX-Markers: 1.0 ChimeraX-Mask: 1.0 ChimeraX-MatchMaker: 2.0.3 ChimeraX-MDcrds: 2.6 ChimeraX-MedicalToolbar: 1.0.1 ChimeraX-Meeting: 1.0 ChimeraX-MLP: 1.1 ChimeraX-mmCIF: 2.4 ChimeraX-MMTF: 2.1 ChimeraX-Modeller: 1.2.4 ChimeraX-ModelPanel: 1.2 ChimeraX-ModelSeries: 1.0 ChimeraX-Mol2: 2.0 ChimeraX-Morph: 1.0 ChimeraX-MouseModes: 1.1 ChimeraX-Movie: 1.0 ChimeraX-Neuron: 1.0 ChimeraX-Nucleotides: 2.0.2 ChimeraX-OpenCommand: 1.8 ChimeraX-PDB: 2.6.4 ChimeraX-PDBBio: 1.0 ChimeraX-PDBLibrary: 1.0.2 ChimeraX-PDBMatrices: 1.0 ChimeraX-PickBlobs: 1.0 ChimeraX-Positions: 1.0 ChimeraX-PresetMgr: 1.0.1 ChimeraX-PubChem: 2.1 ChimeraX-ReadPbonds: 1.0 ChimeraX-Registration: 1.1 ChimeraX-RemoteControl: 1.0 ChimeraX-ResidueFit: 1.0 ChimeraX-RestServer: 1.1 ChimeraX-RNALayout: 1.0 ChimeraX-RotamerLibMgr: 2.0 ChimeraX-RotamerLibsDunbrack: 2.0 ChimeraX-RotamerLibsDynameomics: 2.0 ChimeraX-RotamerLibsRichardson: 2.0 ChimeraX-SaveCommand: 1.5 ChimeraX-SchemeMgr: 1.0 ChimeraX-SDF: 2.0 ChimeraX-Segger: 1.0 ChimeraX-Segment: 1.0 ChimeraX-SelInspector: 1.0 ChimeraX-SeqView: 2.4.5 ChimeraX-Shape: 1.0.1 ChimeraX-Shell: 1.0 ChimeraX-Shortcuts: 1.1 ChimeraX-ShowAttr: 1.0 ChimeraX-ShowSequences: 1.0 ChimeraX-SideView: 1.0 ChimeraX-Smiles: 2.1 ChimeraX-SmoothLines: 1.0 ChimeraX-SpaceNavigator: 1.0 ChimeraX-StdCommands: 1.6 ChimeraX-STL: 1.0 ChimeraX-Storm: 1.0 ChimeraX-StructMeasure: 1.0 ChimeraX-Struts: 1.0 ChimeraX-Surface: 1.0 ChimeraX-SwapAA: 2.0 ChimeraX-SwapRes: 2.1 ChimeraX-TapeMeasure: 1.0 ChimeraX-Test: 1.0 ChimeraX-Toolbar: 1.1 ChimeraX-ToolshedUtils: 1.2 ChimeraX-Tug: 1.0 ChimeraX-UI: 1.13.6 ChimeraX-uniprot: 2.2 ChimeraX-UnitCell: 1.0 ChimeraX-ViewDockX: 1.0.1 ChimeraX-VIPERdb: 1.0 ChimeraX-Vive: 1.1 ChimeraX-VolumeMenu: 1.0 ChimeraX-VTK: 1.0 ChimeraX-WavefrontOBJ: 1.0 ChimeraX-WebCam: 1.0 ChimeraX-WebServices: 1.0 ChimeraX-Zone: 1.0 colorama: 0.4.4 cxservices: 1.1 cycler: 0.10.0 Cython: 0.29.24 decorator: 5.1.0 docutils: 0.17.1 filelock: 3.0.12 funcparserlib: 0.3.6 grako: 3.16.5 h5py: 3.5.0 html2text: 2020.1.16 idna: 3.3 ihm: 0.21 imagecodecs: 2021.4.28 imagesize: 1.2.0 ipykernel: 5.5.5 ipython: 7.23.1 ipython-genutils: 0.2.0 jedi: 0.18.0 Jinja2: 3.0.1 jupyter-client: 6.1.12 jupyter-core: 4.9.0 kiwisolver: 1.3.2 lxml: 4.6.3 lz4: 3.1.3 MarkupSafe: 2.0.1 matplotlib: 3.4.3 matplotlib-inline: 0.1.3 msgpack: 1.0.2 netCDF4: 1.5.7 networkx: 2.6.3 numexpr: 2.7.3 numpy: 1.21.2 openvr: 1.16.801 packaging: 21.0 ParmEd: 3.2.0 parso: 0.8.2 pexpect: 4.8.0 pickleshare: 0.7.5 Pillow: 8.3.2 pip: 21.2.4 pkginfo: 1.7.1 prompt-toolkit: 3.0.21 psutil: 5.8.0 ptyprocess: 0.7.0 pycollada: 0.7.1 pydicom: 2.1.2 Pygments: 2.10.0 PyOpenGL: 3.1.5 PyOpenGL-accelerate: 3.1.5 pyparsing: 3.0.2 PyQt5-commercial: 5.15.2 PyQt5-sip: 12.8.1 PyQtWebEngine-commercial: 5.15.2 python-dateutil: 2.8.2 pytz: 2021.3 pyzmq: 22.3.0 qtconsole: 5.1.1 QtPy: 1.11.2 RandomWords: 0.3.0 requests: 2.26.0 scipy: 1.7.1 setuptools: 57.5.0 sfftk-rw: 0.7.1 six: 1.16.0 snowballstemmer: 2.1.0 sortedcontainers: 2.4.0 Sphinx: 4.2.0 sphinx-autodoc-typehints: 1.12.0 sphinxcontrib-applehelp: 1.0.2 sphinxcontrib-blockdiag: 2.0.0 sphinxcontrib-devhelp: 1.0.2 sphinxcontrib-htmlhelp: 2.0.0 sphinxcontrib-jsmath: 1.0.1 sphinxcontrib-qthelp: 1.0.3 sphinxcontrib-serializinghtml: 1.1.5 suds-jurko: 0.6 tifffile: 2021.4.8 tinyarray: 1.2.3 tornado: 6.1 traitlets: 5.1.1 urllib3: 1.26.7 wcwidth: 0.2.5 webcolors: 1.11.1 wheel: 0.37.0 wheel-filename: 1.3.0 File attachment: Screen Shot 2021-10-28 at 1.36.09 PM.png
Attachments (1)
Change History (3)
by , 4 years ago
Attachment: | Screen Shot 2021-10-28 at 1.36.09 PM.png added |
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comment:1 by , 4 years ago
Component: | Unassigned → Depiction |
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Owner: | set to |
Platform: | → all |
Project: | → ChimeraX |
Status: | new → accepted |
Summary: | ChimeraX bug report submission → Discontinuous secondary structure |
comment:2 by , 4 years ago
Resolution: | → not a bug |
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Status: | accepted → closed |
Hi Andrea,
In order to handle the case where a structure has adjacent helices with no intervening non-helix residue, there is also an 'ss_id' attribute to mark what secondary structure element a residue belongs to, and there will always be a short coil depiction between residues with differing ss_ids. So to get the effect you want to achieve you also have to assign the same ss_id to all those residues. I would suggest assigning an ss_id that isn't likely to already be used, such as 101, 102, etc.
--Eric
Eric Pettersen
UCSF Computer Graphics Lab
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