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Map molfile monomers onto library monomers on import
Export to MOL
Bucket: Export to MOL related issues
Import from MOL
System should consider any collection of monomers and atoms who are connected via covalent (backbone, sidechain, monomer to small molecule, small molecule to small molecule), or hydrogen bonds as the whole chain
Flex mode
Bucket: Flex canvas related mode
Priority: Medium
Severity: Medium
Medium level visibility to the user
System doesn't calculate melting temperature for unsplit nucleotides if they are more then two
Priority: Medium
Severity: Medium
Medium level visibility to the user
#2938
opened May 21, 2025 by
AlexeyGirin
Isoelectric Point calculation formula seems to be wrong
Priority: High
Severity: High
High level visibility to the user
Isoelectric Point calculation should take into account occupied leaving groups (exclude them)
Priority: Medium
Severity: Medium
Medium level visibility to the user
Atom weights in indigo should be updated according to last IUPAC data
Priority: Medium
Severity: Medium
Medium level visibility to the user
Molecule mass should be calculated for partial selected micromolecule
Macro-Micro
Bucket: Switching between Micro and Macro modes
Priority: High
Severity: High
High level visibility to the user
System doesn't substract from mass of monomer mass of leaving group atom(s) if an attachment point is occupied.
Priority: High
Severity: High
High level visibility to the user
Performing an exact match search results in PostgreSQL termination
User`s Feedback
#2922
opened May 19, 2025 by
amhuhn2
CIP labels are always rendered from cdxml
User`s Feedback
#2900
opened May 12, 2025 by
jblack-mestre
Saving expanded monomers into MOL-files
Test Cases Written
Test cases has been written for that issue
Structure View should include the header regardless of the imports file.
Export to SDF
Bucket: Export to SDF related issues
Macro-Micro
Bucket: Switching between Micro and Macro modes
Priority: Low
Paste from clipboard in sequence mode should work the same as in Flex/Snake mode
Ljubica found bugs
Bucket: Bugs found by Ljubica on her daily routine
Priority: Medium
Sequence mode
Bucket: Sequence mode related issues
Severity: High
High level visibility to the user
We still need to produce a more meaningful error like Bucket: Bugs related to Export to HELM format
Priority: High
Severity: High
High level visibility to the user
xxx was not recognized as a valid SMILES string
HELM
Clean Up function doesn't work if query atom and monomer on the canvas at the same time
Layout
Priority: Medium
Severity: Medium
Medium level visibility to the user
The monomer appears expanded after loading file in RXN V2000 format
Export to RXN
Bucket: Export to RXN related issues
Priority: Medium
Severity: Medium
Medium level visibility to the user
Reaction SMILES lossily handles enhanced stereochemistry
Export to SMARTS
Bucket: Bugs related to Export to SMARTS
Stereochemistry
Bucket: Stereochemistry related issues
User`s Feedback
Mismatch in Oxygen Atom Mapping Between Reactants and Product in Indigo Automapping
User`s Feedback
#2719
opened Dec 31, 2024 by
RamziWeslati
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