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Revisions №638

branch: interactive/develop 「№638」
Commited by: Rocco Moretti
GitHub commit link: 「8c6886355c87827c」 「№6557」
Difference from previous tested commit:  code diff
Commit date: 2025-05-30 09:54:37
foldit.build.debug foldit.build.release foldit.defines foldit.levels foldit.unit.debug foldit.unit.release

Merge pull request #6557 from RosettaCommons/roccomoretti/add_smiles_to_ligand_prop [Foldit] Add Formula and SMILES to ligand properties panel There's been some persistent requests to get better information about the formula (number of atoms) and the SMILES string of the ligand. This PR re-works the Small Molecule Properties panel to add that information. It also removes the need to click boxes to see the values. (With a little rewrite, actually computing properties does not add appreciably to time.) Being able to export the SMILES for a ligand has also been a request. As a knowledgeable and determined person would be able to create a SMILES string from the visualization, there's no particular harm in allowing them to use a button to copy it to a clipboard. (The ability to input SMILES strings may be different.) While I was at it, I also fixed an issue where the ligand properties and view panels were created overlapping. RELEASE NOTES: Add ligand formula and SMILES string to Small Molecule Properties panel.

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Test: mac.clang.foldit.build.release

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