Opened 17 months ago

Closed 17 months ago

Last modified 17 months ago

#15345 closed defect (not a bug)

Swapaa syntax

Reported by: sgotthold@… Owned by: Eric Pettersen
Priority: normal Milestone:
Component: Structure Editing Version:
Keywords: Cc:
Blocked By: Blocking:
Notify when closed: Platform: all
Project: ChimeraX

Description

The following bug report has been submitted:
Platform:        macOS-12.6.8-x86_64-i386-64bit
ChimeraX Version: 1.8rc202405282004 (2024-05-28 20:04:22 UTC)
Description
When inputing the following commands, the erros messages are displayed swapaa D#1:203.a
Missing or invalid "residues" argument: only initial part "D" of atom specifier valid 
swapaa D#1:203.A
Missing or invalid "residues" argument: only initial part "D" of atom specifier valid 
swapaa D #1:203.A
No amino acid residues specified for swapping 
list residues
Unknown command: list residues 
swapaa asp #1:203.a
Missing or invalid "residues" argument: invalid residues specifier 
swapaa asp #1:203.A
Missing or invalid "residues" argument: invalid residues specifier 
swapaa Glu #1:203.a
Missing or invalid "residues" argument: invalid residues specifier
(Describe the actions that caused this problem to occur here)

Log:
Startup Messages  
---  
note | available bundle cache has not been initialized yet  
  
You can double click a model's Name or ID in the model panel to edit those
fields  
UCSF ChimeraX version: 1.8rc202405282004 (2024-05-28)  
© 2016-2024 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> help help:quickstart

> open /Users/iMacSofi/Downloads/4ib3.pdb

4ib3.pdb title:  
Structure of camp dependent protein kinase A In complex with adp,
phosphorylated peptide PSP20, and No metal [more info...]  
  
Chain information for 4ib3.pdb #1  
---  
Chain | Description | UniProt  
A | PKA C-α | KAPCA_MOUSE 1-350  
S | phosphorylated pseudo-substrate peptide PSP20 |   
  
Non-standard residues in 4ib3.pdb #1  
---  
ADP — adenosine-5'-diphosphate  
  

> set bgColor white

> select :ADP

27 atoms, 29 bonds, 1 residue, 1 model selected  

> color sel hot pink

> select /A:12-350

2804 atoms, 2875 bonds, 339 residues, 1 model selected  

> color sel light sea green

> select /S:605-624

159 atoms, 161 bonds, 20 residues, 1 model selected  

> color sel forest green

> color sel orange

> color sel dim gray

> color sel lime

> color sel orange red

> select :ADP

27 atoms, 29 bonds, 1 residue, 1 model selected  

> color sel yellow

> color sel magenta

> color sel light sea green

> select /A:12-350

2804 atoms, 2875 bonds, 339 residues, 1 model selected  

> color sel dark gray

> select :ADP

27 atoms, 29 bonds, 1 residue, 1 model selected  

> select /S:605-624

159 atoms, 161 bonds, 20 residues, 1 model selected  

> color sel hot pink

> select ::name="GLU"

225 atoms, 203 bonds, 25 residues, 1 model selected  

> show sel target ab

> select ::name="ARG"

198 atoms, 182 bonds, 18 residues, 1 model selected  

> show sel target ab

> select ::name="GLU"

225 atoms, 203 bonds, 25 residues, 1 model selected  

> select /A:12-350

2804 atoms, 2875 bonds, 339 residues, 1 model selected  

> color sel light sea green

> select /S:605-624

159 atoms, 161 bonds, 20 residues, 1 model selected  

> select :ADP

27 atoms, 29 bonds, 1 residue, 1 model selected  

> color sel yellow

> color sel byhetero

> select ::name="GLU"

225 atoms, 203 bonds, 25 residues, 1 model selected  

> ui tool show H-Bonds

> hbonds color #fa4a64 reveal true

1002 hydrogen bonds found  

> select /S:605-624

159 atoms, 161 bonds, 8 pseudobonds, 20 residues, 2 models selected  

> color (#!1 & sel) byelement

> select ::name="GLU"

225 atoms, 203 bonds, 4 pseudobonds, 25 residues, 2 models selected  

> label (#!1 & sel) text "/{0.chain_id} {0.name} {0.number}{0.insertion_code}"

> ui tool show Distances

> select subtract /A:203@OE1

224 atoms, 202 bonds, 3 pseudobonds, 25 residues, 2 models selected  

> select add /A:203@OE1

225 atoms, 202 bonds, 3 pseudobonds, 25 residues, 2 models selected  

> select add /S:615@NH1

226 atoms, 202 bonds, 3 pseudobonds, 26 residues, 2 models selected  
Exactly two atoms must be selected!  
[Repeated 2 time(s)]

> select subtract /S:615@NH1

225 atoms, 202 bonds, 3 pseudobonds, 25 residues, 2 models selected  

> select add /S:615@NH1

226 atoms, 202 bonds, 3 pseudobonds, 26 residues, 2 models selected  
Exactly two atoms must be selected!  

> select subtract /A:203@OE1

225 atoms, 202 bonds, 3 pseudobonds, 26 residues, 2 models selected  

> select add /A:203@OE1

226 atoms, 202 bonds, 3 pseudobonds, 26 residues, 2 models selected  
Exactly two atoms must be selected!  

> select add /S:615@NE

227 atoms, 202 bonds, 3 pseudobonds, 26 residues, 2 models selected  

> select subtract /A:203@OE2

226 atoms, 201 bonds, 3 pseudobonds, 26 residues, 2 models selected  

> select add /A:203@OE2

227 atoms, 201 bonds, 3 pseudobonds, 26 residues, 2 models selected  
Exactly two atoms must be selected!  

> select subtract /A:203@OE1

226 atoms, 201 bonds, 3 pseudobonds, 26 residues, 2 models selected  

> select /S:615@NH1

1 atom, 1 residue, 1 model selected  

> select /S:615@NH1

1 atom, 1 residue, 1 model selected  

> select /S:615@NH1

1 atom, 1 residue, 1 model selected  

> select add /A:203@OE1

2 atoms, 2 residues, 1 model selected  

> distance /S:615@NH1 /A:203@OE1

Distance between /S ARG 615 NH1 and /A GLU 203 OE1: 2.889Å  

> select add /A:203@OE2

3 atoms, 2 residues, 1 model selected  

> select add /S:615@NE

4 atoms, 2 residues, 1 model selected  
Exactly two atoms must be selected!  

> distance style color #faaadf

[Repeated 2 time(s)]

> distance style color #faa9de

[Repeated 2 time(s)]

> distance style color #faa8dd

[Repeated 2 time(s)]

> distance style color #faa6da

[Repeated 2 time(s)]

> distance style color #faa4d7

[Repeated 2 time(s)]

> distance style color #faa3d7

[Repeated 2 time(s)]

> distance style color #faa3d6

[Repeated 2 time(s)]

> distance style color #faa2d6

[Repeated 2 time(s)]

> distance style color #fa98d2

[Repeated 2 time(s)]

> distance style color #fa8ccc

[Repeated 2 time(s)]

> distance style color #fa6db5

[Repeated 2 time(s)]

> distance style color #fa57a2

[Repeated 2 time(s)]

> distance style color #fa509b

[Repeated 2 time(s)]

> distance style color #fa5099

[Repeated 2 time(s)]

> distance style color #fa4e96

[Repeated 2 time(s)]

> distance style color #fa4d94

[Repeated 2 time(s)]

> distance style color #fa498c

[Repeated 2 time(s)]

> distance style color #fa417f

[Repeated 2 time(s)]

> distance style color #fa346a

[Repeated 2 time(s)]

> distance style color #fa2958

[Repeated 2 time(s)]

> distance style color #fa1f47

[Repeated 2 time(s)]

> distance style color #fa162f

[Repeated 2 time(s)]

> distance style color #fa131e

[Repeated 2 time(s)]

> distance style color #fa1319

[Repeated 2 time(s)]

> distance style color #fa1418

[Repeated 2 time(s)]

> distance style color #fa1417

[Repeated 2 time(s)]

> distance style color #fa1516

[Repeated 2 time(s)]

> distance style color #fa1a17

[Repeated 2 time(s)]

> distance style color #fa2319

[Repeated 2 time(s)]

> distance style color #fa2b1b

[Repeated 2 time(s)]

> distance style color #fa321c

[Repeated 2 time(s)]

> distance style color #fa391c

[Repeated 2 time(s)]

> distance style color #fa431b

[Repeated 2 time(s)]

> distance style color #fa4a1b

[Repeated 2 time(s)]

> distance style color #fa4c1a

[Repeated 2 time(s)]

> distance style color #fa5418

[Repeated 2 time(s)]

> distance style color #fa5c16

[Repeated 2 time(s)]

> distance style color #fa6015

[Repeated 2 time(s)]

> distance style color #fa6a13

[Repeated 2 time(s)]

> distance style color #fa7014

[Repeated 2 time(s)]

> distance style color #fa7615

[Repeated 2 time(s)]

> distance style color #fa8317

[Repeated 2 time(s)]

> distance style color #fa9a1e

[Repeated 2 time(s)]

> distance style color #faab24

[Repeated 2 time(s)]

> distance style color #fabc2a

[Repeated 2 time(s)]

> distance style color #fad839

[Repeated 2 time(s)]

> distance style color #fae13d

[Repeated 2 time(s)]

> distance style color #faf147

[Repeated 2 time(s)]

> distance style color #ecfa53

[Repeated 2 time(s)]

> distance style color #cafa5f

[Repeated 2 time(s)]

> distance style color #c1fa61

[Repeated 2 time(s)]

> distance style color #bcfa64

[Repeated 2 time(s)]

> distance style color #b8fa68

[Repeated 2 time(s)]

> distance style color #aefa71

[Repeated 2 time(s)]

> distance style color #a5fa7a

[Repeated 2 time(s)]

> distance style color #a2fa7d

[Repeated 2 time(s)]

> distance style color #9ffa80

[Repeated 2 time(s)]

> distance style color #9bfa84

[Repeated 2 time(s)]

> distance style color #9afa86

[Repeated 2 time(s)]

> distance style color #97fa8a

[Repeated 2 time(s)]

> distance style color #97fa8b

[Repeated 2 time(s)]

> distance style color #95fa8c

[Repeated 2 time(s)]

> distance style color #8efa8f

[Repeated 2 time(s)]

> distance style color #8ffa93

[Repeated 2 time(s)]

> distance style color #8ffa95

[Repeated 2 time(s)]

> distance style color #8ffa99

[Repeated 2 time(s)]

> distance style color #8ffa9c

[Repeated 2 time(s)]

> distance style color #90fa9d

[Repeated 2 time(s)]

> distance style color #8ffa9d

[Repeated 2 time(s)]

> distance style color #90fa9d

[Repeated 2 time(s)]

> distance style color #8ffa9d

[Repeated 2 time(s)]

> distance style color #8ffa9e

[Repeated 2 time(s)]

> distance style color #8ffa9f

[Repeated 2 time(s)]

> distance style color #8ffaa0

[Repeated 2 time(s)]

> distance style color #8efaa3

[Repeated 2 time(s)]

> distance style color #8bfaa8

[Repeated 2 time(s)]

> distance style color #89faac

[Repeated 2 time(s)]

> distance style color #87faaf

[Repeated 2 time(s)]

> distance style color #83fab5

[Repeated 2 time(s)]

> distance style color #83fab6

[Repeated 2 time(s)]

> distance style color #83fab7

[Repeated 2 time(s)]

> distance style color #83fabb

[Repeated 2 time(s)]

> distance style color #83fabc

[Repeated 2 time(s)]

> distance style color #83fabe

[Repeated 2 time(s)]

> distance style color #83fabf

[Repeated 2 time(s)]

> distance style color #84fabf

[Repeated 2 time(s)]

> distance style color #85fabf

[Repeated 2 time(s)]

> distance style color #88fabe

[Repeated 2 time(s)]

> distance style color #89fabe

[Repeated 2 time(s)]

> distance style color #8ffabf

[Repeated 2 time(s)]

> distance style color #98fabe

[Repeated 2 time(s)]

> distance style color #9efabd

[Repeated 2 time(s)]

> distance style color #9ffabd

[Repeated 2 time(s)]

> distance style color #9ffabc

[Repeated 2 time(s)]

> distance style color #a0fabb

[Repeated 2 time(s)]

> distance style color #a3fab7

[Repeated 2 time(s)]

> distance style color #a4fab3

[Repeated 2 time(s)]

> distance style color #a6faad

[Repeated 2 time(s)]

> distance style color #a7faa9

[Repeated 2 time(s)]

> distance style color #aefaa9

[Repeated 2 time(s)]

> distance style color #b3faa9

[Repeated 2 time(s)]

> distance style color #b5faa9

[Repeated 2 time(s)]

> distance style color #bcfaab

[Repeated 2 time(s)]

> distance style color #befaab

[Repeated 2 time(s)]

> distance style color #bffaab

[Repeated 2 time(s)]

> distance style color #c0faab

[Repeated 2 time(s)]

> distance style color #c2faac

[Repeated 2 time(s)]

> distance style color #cdfaaf

[Repeated 2 time(s)]

> distance style color #d5faaf

[Repeated 2 time(s)]

> distance style color #d6faaf

[Repeated 2 time(s)]

> distance style color #d7faaf

[Repeated 2 time(s)]

> distance style color #d8faaf

[Repeated 2 time(s)]

> distance style color #dafaaf

[Repeated 2 time(s)]

> distance style color #defaaf

[Repeated 2 time(s)]

> distance style color #e4faae

[Repeated 2 time(s)]

> distance style color #e6faae

[Repeated 2 time(s)]

> distance style color #e7faad

[Repeated 2 time(s)]

> distance style color #e8faae

[Repeated 2 time(s)]

> distance style color #eefaba

[Repeated 2 time(s)]

> distance style color #f4fac5

[Repeated 2 time(s)]

> distance style color #f9face

[Repeated 2 time(s)]

> distance style color #faf7d5

[Repeated 2 time(s)]

> distance style color #faf6d5

[Repeated 2 time(s)]

> distance style color #fae7dd

[Repeated 2 time(s)]

> distance style color #fad9db

[Repeated 2 time(s)]

> distance style color #fac9dc

[Repeated 2 time(s)]

> distance style color #fac1db

[Repeated 2 time(s)]

> distance style color #fac1da

[Repeated 2 time(s)]

> distance style color #fac1d0

[Repeated 2 time(s)]

> distance style color #fac1cb

[Repeated 2 time(s)]

> distance style color #fac0c4

[Repeated 2 time(s)]

> distance style color #fac0c2

[Repeated 2 time(s)]

> distance style color #fac0c1

[Repeated 2 time(s)]

> distance style color #fabfc1

[Repeated 2 time(s)]

> distance style color #fac3c0

[Repeated 2 time(s)]

> distance style color #fac7c0

[Repeated 2 time(s)]

> distance style color #fad0bf

[Repeated 2 time(s)]

> distance style color #fadabd

[Repeated 2 time(s)]

> distance style color #fadebb

[Repeated 2 time(s)]

> distance style color #fae1ba

[Repeated 2 time(s)]

> distance style color #fae3b8

[Repeated 2 time(s)]

> distance style color #fae6b4

[Repeated 2 time(s)]

> distance style color #fae8b2

[Repeated 2 time(s)]

> distance style color #faefa8

[Repeated 2 time(s)]

> distance style color #faf2a3

[Repeated 2 time(s)]

> distance style color #faf59f

[Repeated 2 time(s)]

> distance style color #faf69e

[Repeated 2 time(s)]

> distance style color #faf69d

[Repeated 2 time(s)]

> distance style color #faf69c

[Repeated 2 time(s)]

> distance style color #faf79b

[Repeated 2 time(s)]

> distance style color #faf79a

[Repeated 2 time(s)]

> distance style color #faf89a

[Repeated 2 time(s)]

> distance style color #f7fa93

[Repeated 2 time(s)]

> distance style color #f4fa8f

[Repeated 2 time(s)]

> distance style color #ecfa84

[Repeated 2 time(s)]

> distance style color #e8fa7f

[Repeated 2 time(s)]

> distance style color #e5fa7c

[Repeated 2 time(s)]

> distance style color #e4fa7a

[Repeated 2 time(s)]

> distance style color #e3fa79

[Repeated 2 time(s)]

> distance style color #e1fa76

[Repeated 2 time(s)]

> distance style color #dffa72

[Repeated 2 time(s)]

> distance style color #dffa71

[Repeated 2 time(s)]

> distance style color #ddfa6e

[Repeated 2 time(s)]

> distance style color #dbfa6b

[Repeated 2 time(s)]

> distance style color #d8fa67

[Repeated 2 time(s)]

> distance style color #d6fa63

[Repeated 2 time(s)]

> distance style color #d4fa61

[Repeated 2 time(s)]

> distance style color #d1fa5d

[Repeated 2 time(s)]

> distance style color #d0fa5c

[Repeated 2 time(s)]

> distance style color #d0fa5b

[Repeated 2 time(s)]

> distance style color #d0fa5a

[Repeated 2 time(s)]

> distance style color #d0fa59

[Repeated 2 time(s)]

> distance style color #d0fa58

[Repeated 2 time(s)]

> distance style color #d0fa57

[Repeated 2 time(s)]

> select /A:203@OE2

1 atom, 1 residue, 1 model selected  

> select add /S:615@NE

2 atoms, 2 residues, 1 model selected  

> distance /A:203@OE2 /S:615@NE

Distance between /A GLU 203 OE2 and /S ARG 615 NE: 2.732Å  

> select /A:203@OE1

1 atom, 1 residue, 1 model selected  

> select add /S:615@NE

2 atoms, 2 residues, 1 model selected  

> distance /A:203@OE1 /S:615@NE

Distance between /A GLU 203 OE1 and /S ARG 615 NE: 3.410Å  

> color #2 #70fa92ff models

> color #2 #8ffa98ff models

> color #2 #8efa98ff models

> color #2 #85fa96ff models

> select subtract /A:203

1 atom, 1 residue, 1 model selected  

> select /A:203

9 atoms, 8 bonds, 1 pseudobond, 1 residue, 2 models selected  

> select subtract /A:203

Nothing selected  

> select /A:203

9 atoms, 8 bonds, 1 pseudobond, 1 residue, 2 models selected  

> color (#!1 & sel) byhetero

> select subtract /A:203

Nothing selected  

> select add /A:203

9 atoms, 8 bonds, 1 pseudobond, 1 residue, 2 models selected  

> color (#!1 & sel) byelement

> color #2 #f58db6ff models

> color #2 black models

> swapaa D#1:203.a

Missing or invalid "residues" argument: only initial part "D" of atom
specifier valid  

> swapaa D#1:203.A

Missing or invalid "residues" argument: only initial part "D" of atom
specifier valid  

> swapaa D #1:203.A

No amino acid residues specified for swapping  

> list residues

Unknown command: list residues  

> swapaa asp #1:203.a

Missing or invalid "residues" argument: invalid residues specifier  

> swapaa asp #1:203.A

Missing or invalid "residues" argument: invalid residues specifier  

> swapaa Glu #1:203.a

Missing or invalid "residues" argument: invalid residues specifier  




OpenGL version: 4.1 ATI-4.8.101
OpenGL renderer: AMD Radeon R9 M395X OpenGL Engine
OpenGL vendor: ATI Technologies Inc.

Python: 3.11.4
Locale: UTF-8
Qt version: PyQt6 6.6.1, Qt 6.6.1
Qt runtime version: 6.6.3
Qt platform: cocoa
Hardware:

    Hardware Overview:

      Model Name: iMac
      Model Identifier: iMac17,1
      Processor Name: Quad-Core Intel Core i5
      Processor Speed: 3,3 GHz
      Number of Processors: 1
      Total Number of Cores: 4
      L2 Cache (per Core): 256 KB
      L3 Cache: 6 MB
      Memory: 24 GB
      System Firmware Version: 512.0.0.0.0
      OS Loader Version: 540.120.3~22
      SMC Version (system): 2.34f3

Software:

    System Software Overview:

      System Version: macOS 12.6.8 (21G725)
      Kernel Version: Darwin 21.6.0
      Time since boot: 1 day 10 minutes

Graphics/Displays:

    AMD Radeon R9 M395X:

      Chipset Model: AMD Radeon R9 M395X
      Type: GPU
      Bus: PCIe
      PCIe Lane Width: x16
      VRAM (Total): 4 GB
      Vendor: AMD (0x1002)
      Device ID: 0x6920
      Revision ID: 0x0000
      ROM Revision: 113-C905AA-799
      VBIOS Version: 113-C905A0-007
      EFI Driver Version: 01.00.799
      Metal Family: Supported, Metal GPUFamily macOS 2
      Displays:
        iMac:
          Display Type: Built-In Retina LCD
          Resolution: Retina 5K (5120 x 2880)
          Framebuffer Depth: 30-Bit Color (ARGB2101010)
          Main Display: Yes
          Mirror: Off
          Online: Yes
          Automatically Adjust Brightness: Yes
          Connection Type: Internal


Installed Packages:
    alabaster: 0.7.16
    appdirs: 1.4.4
    appnope: 0.1.4
    asttokens: 2.4.1
    Babel: 2.15.0
    beautifulsoup4: 4.12.3
    blockdiag: 3.0.0
    blosc2: 2.0.0
    build: 1.2.1
    certifi: 2023.11.17
    cftime: 1.6.3
    charset-normalizer: 3.3.2
    ChimeraX-AddCharge: 1.5.17
    ChimeraX-AddH: 2.2.6
    ChimeraX-AlignmentAlgorithms: 2.0.2
    ChimeraX-AlignmentHdrs: 3.5
    ChimeraX-AlignmentMatrices: 2.1
    ChimeraX-Alignments: 2.12.7
    ChimeraX-AlphaFold: 1.0
    ChimeraX-AltlocExplorer: 1.1.1
    ChimeraX-AmberInfo: 1.0
    ChimeraX-Arrays: 1.1
    ChimeraX-Atomic: 1.57
    ChimeraX-AtomicLibrary: 14.0.5
    ChimeraX-AtomSearch: 2.0.1
    ChimeraX-AxesPlanes: 2.4
    ChimeraX-BasicActions: 1.1.2
    ChimeraX-BILD: 1.0
    ChimeraX-BlastProtein: 2.4.6
    ChimeraX-BondRot: 2.0.4
    ChimeraX-BugReporter: 1.0.1
    ChimeraX-BuildStructure: 2.12.1
    ChimeraX-Bumps: 1.0
    ChimeraX-BundleBuilder: 1.2.7
    ChimeraX-ButtonPanel: 1.0.1
    ChimeraX-CageBuilder: 1.0.1
    ChimeraX-CellPack: 1.0
    ChimeraX-Centroids: 1.4
    ChimeraX-ChangeChains: 1.1
    ChimeraX-CheckWaters: 1.4
    ChimeraX-ChemGroup: 2.0.1
    ChimeraX-Clashes: 2.2.4
    ChimeraX-ColorActions: 1.0.5
    ChimeraX-ColorGlobe: 1.0
    ChimeraX-ColorKey: 1.5.6
    ChimeraX-CommandLine: 1.2.5
    ChimeraX-ConnectStructure: 2.0.1
    ChimeraX-Contacts: 1.0.1
    ChimeraX-Core: 1.8rc202405282004
    ChimeraX-CoreFormats: 1.2
    ChimeraX-coulombic: 1.4.3
    ChimeraX-Crosslinks: 1.0
    ChimeraX-Crystal: 1.0
    ChimeraX-CrystalContacts: 1.0.1
    ChimeraX-DataFormats: 1.2.3
    ChimeraX-Dicom: 1.2.4
    ChimeraX-DiffPlot: 1.0
    ChimeraX-DistMonitor: 1.4.2
    ChimeraX-DockPrep: 1.1.3
    ChimeraX-Dssp: 2.0
    ChimeraX-EMDB-SFF: 1.0
    ChimeraX-ESMFold: 1.0
    ChimeraX-FileHistory: 1.0.1
    ChimeraX-FunctionKey: 1.0.1
    ChimeraX-Geometry: 1.3
    ChimeraX-gltf: 1.0
    ChimeraX-Graphics: 1.1.1
    ChimeraX-Hbonds: 2.4
    ChimeraX-Help: 1.2.2
    ChimeraX-HKCage: 1.3
    ChimeraX-IHM: 1.1
    ChimeraX-ImageFormats: 1.2
    ChimeraX-IMOD: 1.0
    ChimeraX-IO: 1.0.1
    ChimeraX-ItemsInspection: 1.0.1
    ChimeraX-IUPAC: 1.0
    ChimeraX-Label: 1.1.10
    ChimeraX-ListInfo: 1.2.2
    ChimeraX-Log: 1.1.6
    ChimeraX-LookingGlass: 1.1
    ChimeraX-Maestro: 1.9.1
    ChimeraX-Map: 1.2
    ChimeraX-MapData: 2.0
    ChimeraX-MapEraser: 1.0.1
    ChimeraX-MapFilter: 2.0.1
    ChimeraX-MapFit: 2.0
    ChimeraX-MapSeries: 2.1.1
    ChimeraX-Markers: 1.0.1
    ChimeraX-Mask: 1.0.2
    ChimeraX-MatchMaker: 2.1.3
    ChimeraX-MCopy: 1.0
    ChimeraX-MDcrds: 2.7.1
    ChimeraX-MedicalToolbar: 1.0.2
    ChimeraX-Meeting: 1.0.1
    ChimeraX-MLP: 1.1.1
    ChimeraX-mmCIF: 2.14.1
    ChimeraX-MMTF: 2.2
    ChimeraX-Modeller: 1.5.16
    ChimeraX-ModelPanel: 1.5
    ChimeraX-ModelSeries: 1.0.1
    ChimeraX-Mol2: 2.0.3
    ChimeraX-Mole: 1.0
    ChimeraX-Morph: 1.0.2
    ChimeraX-MouseModes: 1.2
    ChimeraX-Movie: 1.0
    ChimeraX-Neuron: 1.0
    ChimeraX-Nifti: 1.2
    ChimeraX-NMRSTAR: 1.0.2
    ChimeraX-NRRD: 1.2
    ChimeraX-Nucleotides: 2.0.3
    ChimeraX-OpenCommand: 1.13.4
    ChimeraX-PDB: 2.7.5
    ChimeraX-PDBBio: 1.0.1
    ChimeraX-PDBLibrary: 1.0.4
    ChimeraX-PDBMatrices: 1.0
    ChimeraX-PickBlobs: 1.0.1
    ChimeraX-Positions: 1.0
    ChimeraX-PresetMgr: 1.1.1
    ChimeraX-PubChem: 2.2
    ChimeraX-ReadPbonds: 1.0.1
    ChimeraX-Registration: 1.1.2
    ChimeraX-RemoteControl: 1.0
    ChimeraX-RenderByAttr: 1.4.1
    ChimeraX-RenumberResidues: 1.1
    ChimeraX-ResidueFit: 1.0.1
    ChimeraX-RestServer: 1.2
    ChimeraX-RNALayout: 1.0
    ChimeraX-RotamerLibMgr: 4.0
    ChimeraX-RotamerLibsDunbrack: 2.0
    ChimeraX-RotamerLibsDynameomics: 2.0
    ChimeraX-RotamerLibsRichardson: 2.0
    ChimeraX-SaveCommand: 1.5.1
    ChimeraX-SchemeMgr: 1.0
    ChimeraX-SDF: 2.0.2
    ChimeraX-Segger: 1.0
    ChimeraX-Segment: 1.0.1
    ChimeraX-Segmentations: 3.0.13
    ChimeraX-SelInspector: 1.0
    ChimeraX-SeqView: 2.11.2
    ChimeraX-Shape: 1.0.1
    ChimeraX-Shell: 1.0.1
    ChimeraX-Shortcuts: 1.1.1
    ChimeraX-ShowSequences: 1.0.3
    ChimeraX-SideView: 1.0.1
    ChimeraX-Smiles: 2.1.2
    ChimeraX-SmoothLines: 1.0
    ChimeraX-SpaceNavigator: 1.0
    ChimeraX-StdCommands: 1.16.5
    ChimeraX-STL: 1.0.1
    ChimeraX-Storm: 1.0
    ChimeraX-StructMeasure: 1.2.1
    ChimeraX-Struts: 1.0.1
    ChimeraX-Surface: 1.0.1
    ChimeraX-SwapAA: 2.0.1
    ChimeraX-SwapRes: 2.5
    ChimeraX-TapeMeasure: 1.0
    ChimeraX-TaskManager: 1.0
    ChimeraX-Test: 1.0
    ChimeraX-Toolbar: 1.1.2
    ChimeraX-ToolshedUtils: 1.2.4
    ChimeraX-Topography: 1.0
    ChimeraX-ToQuest: 1.0
    ChimeraX-Tug: 1.0.1
    ChimeraX-UI: 1.39.1
    ChimeraX-uniprot: 2.3
    ChimeraX-UnitCell: 1.0.1
    ChimeraX-ViewDockX: 1.4.2
    ChimeraX-VIPERdb: 1.0
    ChimeraX-Vive: 1.1
    ChimeraX-VolumeMenu: 1.0.1
    ChimeraX-vrml: 1.0
    ChimeraX-VTK: 1.0
    ChimeraX-WavefrontOBJ: 1.0
    ChimeraX-WebCam: 1.0.2
    ChimeraX-WebServices: 1.1.4
    ChimeraX-Zone: 1.0.1
    colorama: 0.4.6
    comm: 0.2.2
    contourpy: 1.2.1
    cxservices: 1.2.2
    cycler: 0.12.1
    Cython: 3.0.10
    debugpy: 1.8.1
    decorator: 5.1.1
    docutils: 0.20.1
    executing: 2.0.1
    filelock: 3.13.4
    fonttools: 4.52.4
    funcparserlib: 2.0.0a0
    glfw: 2.7.0
    grako: 3.16.5
    h5py: 3.11.0
    html2text: 2024.2.26
    idna: 3.7
    ihm: 1.0
    imagecodecs: 2024.1.1
    imagesize: 1.4.1
    ipykernel: 6.29.2
    ipython: 8.21.0
    ipywidgets: 8.1.3
    jedi: 0.19.1
    jinja2: 3.1.4
    jupyter-client: 8.6.0
    jupyter-core: 5.7.2
    jupyterlab-widgets: 3.0.11
    kiwisolver: 1.4.5
    line-profiler: 4.1.2
    lxml: 5.2.1
    lz4: 4.3.3
    MarkupSafe: 2.1.5
    matplotlib: 3.8.4
    matplotlib-inline: 0.1.7
    msgpack: 1.0.8
    nest-asyncio: 1.6.0
    netCDF4: 1.6.5
    networkx: 3.3
    nibabel: 5.2.0
    nptyping: 2.5.0
    numexpr: 2.10.0
    numpy: 1.26.4
    openvr: 1.26.701
    packaging: 23.2
    ParmEd: 4.2.2
    parso: 0.8.4
    pep517: 0.13.1
    pexpect: 4.9.0
    pillow: 10.3.0
    pip: 24.0
    pkginfo: 1.10.0
    platformdirs: 4.2.2
    prompt-toolkit: 3.0.45
    psutil: 5.9.8
    ptyprocess: 0.7.0
    pure-eval: 0.2.2
    py-cpuinfo: 9.0.0
    pycollada: 0.8
    pydicom: 2.4.4
    pygments: 2.17.2
    pynmrstar: 3.3.4
    pynrrd: 1.0.0
    PyOpenGL: 3.1.7
    PyOpenGL-accelerate: 3.1.7
    pyopenxr: 1.0.3401
    pyparsing: 3.1.2
    pyproject-hooks: 1.1.0
    PyQt6-commercial: 6.6.1
    PyQt6-Qt6: 6.6.3
    PyQt6-sip: 13.6.0
    PyQt6-WebEngine-commercial: 6.6.0
    PyQt6-WebEngine-Qt6: 6.6.3
    python-dateutil: 2.9.0.post0
    pytz: 2024.1
    pyzmq: 26.0.3
    qtconsole: 5.5.1
    QtPy: 2.4.1
    RandomWords: 0.4.0
    requests: 2.31.0
    scipy: 1.13.0
    setuptools: 69.5.1
    setuptools-scm: 8.0.4
    sfftk-rw: 0.8.1
    six: 1.16.0
    snowballstemmer: 2.2.0
    sortedcontainers: 2.4.0
    soupsieve: 2.5
    sphinx: 7.2.6
    sphinx-autodoc-typehints: 2.0.1
    sphinxcontrib-applehelp: 1.0.8
    sphinxcontrib-blockdiag: 3.0.0
    sphinxcontrib-devhelp: 1.0.6
    sphinxcontrib-htmlhelp: 2.0.5
    sphinxcontrib-jsmath: 1.0.1
    sphinxcontrib-qthelp: 1.0.7
    sphinxcontrib-serializinghtml: 1.1.10
    stack-data: 0.6.3
    superqt: 0.6.3
    tables: 3.8.0
    tcia-utils: 1.5.1
    tifffile: 2024.1.30
    tinyarray: 1.2.4
    tornado: 6.4
    traitlets: 5.14.2
    typing-extensions: 4.12.0
    tzdata: 2024.1
    urllib3: 2.2.1
    wcwidth: 0.2.13
    webcolors: 1.13
    wheel: 0.43.0
    wheel-filename: 1.4.1
    widgetsnbextension: 4.0.11

Change History (4)

comment:1 by Eric Pettersen, 17 months ago

Component: UnassignedStructure Editing
Owner: set to Eric Pettersen
Platform: all
Project: ChimeraX
Status: newaccepted
Summary: ChimeraX bug report submissionSwapaa syntax

comment:2 by Eric Pettersen, 17 months ago

Resolution: not a bug
Status: acceptedclosed

Hi Sofia,

It looks like you are familiar with the swapaa command from our older Chimera program. The command syntax for ChimeraX is different in a few ways. One is that you specify residue 203 in chain A as "/A:203" rather than ":203.A" (you can omit the "#1" since you only have one model open". Another is that in ChimeraX the atom specifier precedes the residue type argument. Lastly, in order to use the one-letter code for the amino acid (which isn't even possible in Chimera AFAIK), you precede it with "seq:". So the two possible command to accomplish what you wanted to do are "swapaa /a:203 ASP" or "swapaa /a:203 seq:D".

--Eric

Eric Pettersen
UCSF Computer Graphics Lab

comment:3 by sgotthold@…, 17 months ago

Thank you, that worked perfect!

On Fri, May 31, 2024 at 10:23 AM ChimeraX <ChimeraX-bugs-admin@cgl.ucsf.edu>
wrote:

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comment:4 by Eric Pettersen, 17 months ago

Great!

--Eric

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