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Super G and Super T monomers do not load from a saved RXN V3000 file #6291

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Zhirnoff opened this issue Jan 6, 2025 · 1 comment · Fixed by #6292 or #6342
Closed

Super G and Super T monomers do not load from a saved RXN V3000 file #6291

Zhirnoff opened this issue Jan 6, 2025 · 1 comment · Fixed by #6292 or #6342
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@rrodionov91
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Priority: High Severity: High High level visibility to the user
Milestone
Ketcher 3.0.0-rc.4

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@Zhirnoff
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Zhirnoff commented Jan 6, 2025

Steps to Reproduce

  1. Go to Macromolecules mode - Flex mode
  2. Open RNA tab - Nucleotides section
  3. Put Super G monomer from that section to the canvas
  4. Switch to Micro mode
  5. Add Arrow to make a reaction
    2025-01-06_12h50_19
  6. Press Save button and save to RXN V3000
  7. Try to load resulted file back

Note: Same for Super T monomer (see screenshot)

Actual behavior
Convert error! Given string could not be loaded as (query or plain) molecule or reaction, see the error messages: 'scanner: readIntFix(3): invalid number representation: "M "', 'scanner: readFloat(): error parsing', 'SEQUENCE loader: Unknown polymer type ''.', 'scanner: readIntFix(3): invalid number representation: "M "'
2025-01-06_12h51_44
2025-01-06_12h54_31

Expected behavior
No exception. Load works as intended

Desktop:

  • OS: Windows 11
  • Browser Chrome
  • Version 131.0.6778.205 (Official Build) (64-bit)

Ketcher version
[Version 3.0.0-rc.1]
Indigo version
[Version 1.28.0-rc.1]

Issue found while testing - epam/Indigo#2041
@Zhirnoff Zhirnoff added bug Priority: High Severity: High High level visibility to the user labels Jan 6, 2025
@AlexeyGirin AlexeyGirin changed the title Super G and Super T monomers do not load from a saved RXN V3000 file Super G and Super T monomers do not load from a saved RXN V3000 file Jan 16, 2025
@AliaksandrDziarkach AliaksandrDziarkach transferred this issue from epam/Indigo Jan 16, 2025
@AliaksandrDziarkach
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Mol file format does not allow space in template name.
After discussion decided to fix monomer name in library - remove space or replace it with dash.

@rrodionov91 rrodionov91 self-assigned this Jan 16, 2025
rrodionov91 added a commit that referenced this issue Jan 16, 2025
@rrodionov91
#6291 - Super G and Super T monomers do not load from a saved RXN V30…
2a79bad 
…00 file
@rrodionov91 rrodionov91 linked a pull request Jan 16, 2025 that will close this issue
#6291 - Super G and Super T monomers do not load from a saved RXN V3000 file #6292
Merged
9 tasks
@AlexeyGirin AlexeyGirin removed the bug label Jan 16, 2025
rrodionov91 added a commit that referenced this issue Jan 22, 2025
@rrodionov91
#6291 - Super G and Super T monomers do not load from a saved RXN V30…
b92d109 
…00 file (#6292)
rrodionov91 added a commit that referenced this issue Jan 22, 2025
@rrodionov91
#6291 - Super G and Super T monomers do not load from a saved RXN V30…
7121216 
…00 file (#6292)
@rrodionov91 rrodionov91 linked a pull request Jan 22, 2025 that will close this issue
Backmerge: #6291 - Super G and Super T monomers do not load from a saved RXN V3000 file #6342
Merged
9 tasks
rrodionov91 added a commit that referenced this issue Jan 22, 2025
@rrodionov91
Backmerge: #6291 - Super G and Super T monomers do not load from a sa…
1c0879f 
…ved RXN V3000 file (#6342)
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@rrodionov91 rrodionov91

Labels
Priority: High Severity: High High level visibility to the user
Projects
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Milestone
Ketcher 3.0.0-rc.4
5 participants
@svvald @rrodionov91 @AliaksandrDziarkach @AlexeyGirin @Zhirnoff