Open
Description
Steps to Reproduce
- Go to Macromolecules mode - Flex canvas (empty)
- Load from HELM:
PEPTIDE1{C}|PEPTIDE2{C}|PEPTIDE3{C}|PEPTIDE4{C}|PEPTIDE5{C.C}|PEPTIDE6{C}|PEPTIDE7{C}$PEPTIDE2,PEPTIDE1,1:R3-1:R3|PEPTIDE4,PEPTIDE3,1:R2-1:R2|PEPTIDE6,PEPTIDE7,1:pair-1:pair$$$V2.0
- Open Calculate properties (press
Alt+C
) - Select each chain
Actual behavior
They all have the same Isoelectric Point - 4.01
Expected behavior
Each chain should have it's own Isoelectric Point value
As per requirement:
- pKa values for all ionizable groups of all monomers should be determined, ignoring the leaving group atoms if an attachment point is occupied.
Environment details:
- Ketcher Version 3.4.0-rc.3 Build at 2025-05-15; 19:51:50
- Indigo Version 1.32.0-rc.2.0-g94ab270bd-wasm32-wasm-clang-19.0.0
- Chrome Version 136.0.7103.93 (Official Build) (64-bit)
- Win10
Found while testing: epam/ketcher#5727