Pull Request №6594 RosettaCommons/main/interactive/develop ← RosettaCommons/main/roccomoretti/fix_imidazole
Merge: 7586e33b7e21ad6944f7ac983fa2dc8295eb40b8←0483de66634bdeb9f60ce0e78254a1c5a95d7f75
[Foldit] Fix imidizole placement.
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Merge commit message:
[Foldit] Fix imidizole placement.
We had a bug report that the placement of the imidazole fragment isn't matching the images. Adjust the atom position annotations such that they match.
Pull Request №6593 RosettaCommons/main/interactive/develop ← RosettaCommons/main/interactive/petrides/unified_cmake
Merge: 7586e33b7e21ad6944f7ac983fa2dc8295eb40b8←70c09ef443a1702815dd48b9c603a2270d8364c9
[Foldit] Unified Foldit Build System Using CMake
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Merge commit message:
turn off fpic on windows
Pull Request №6592 RosettaCommons/main/interactive/develop ← RosettaCommons/main/roccomoretti/web_translations
Merge: 7586e33b7e21ad6944f7ac983fa2dc8295eb40b8←462a9b17e9e9ccdc0c645c9e2a7ec339f12b1435
[Foldit] Client-side support for server-stored translation files.
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Merge commit message:
Put the locale chooser in the option menu, with adjusted restart behavior.
Rosetta Benchmark 3 months Tests for this revision was automatically canceled because newer set of tests for pull-request №6592 was submitted!
Pull Request №6588 RosettaCommons/main/interactive/develop ← RosettaCommons/main/roccomoretti/fix_similarity_tooltip
Merge: 614141ff42cb8d9d124cf879961f06bb673f2922←1a610d3f315681f6b146a4450ec3d8dc38ff6ca9
[Foldit] Fix wording of LigandSubstructureFilter for positive groups.
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Merge commit message:
[Foldit] Fix wording of LigandSubstructureFilter for positive groups.
The LigandSubstructureFilter was always reporting 'Ligand contains X undesired groups' even if there's a good group. Change the wording to better represent positive filters.
RELEASE NOTES: Fix wording on substructure objective with positive groups
Pull Request №6587 RosettaCommons/main/interactive/develop ← RosettaCommons/main/roccomoretti/tetrazole
Merge: 614141ff42cb8d9d124cf879961f06bb673f2922←86693ce80212d4b1b5e33a92ab368ee428cc816e
[Foldit] Fix protonation state of tetrazoles.
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Merge commit message:
[Foldit] Fix protonation state of tetrazoles.
Tetrazoles have a pKa of 4.9 and are a carboxylate mimic.
Right now we're not properly deprotonating them, change the charge state heuristics to better capture their physiologic state.
RELEASE NOTES: Better handling of tetrazole protonation states.
Pull Request №6584 RosettaCommons/main/interactive/develop ← RosettaCommons/main/interactive/petrides/keep_untrimmed_trunc_variants
Merge: 6d10a42151666e9c100b22b595f6b77b1fa169ed←d396e3694c5d598b30e34502ea0ad4dcd8cf3e52
[Foldit] Fix Excessive Removal of Trunc Variants on Untrim
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Merge commit message:
recent reports of trim bugs appear to the be the result of excessive stripping of trunc variants
Pull Request №6583 RosettaCommons/main/interactive/develop ← RosettaCommons/main/roccomoretti/fix_input_compound_label
Merge: 6d10a42151666e9c100b22b595f6b77b1fa169ed←3b8ee53da671333255bc875683a5444c99f7d1c9
[Foldit] Change label of Compound Library search input.
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Merge commit message:
[Foldit] Change label of Compound Library search input.
Recent changes included the search molecule in the Compound Library list. However, it was labeled as 'Entry Query', which isn't all that clear
and has caused confusion. This PR changes that to 'Search Input', which hopefully should be more self-explanitory.
RELEASE NOTES: Change the label of the submitted input molecule for Compound Library search from 'Entry Query' to 'Search Input'
Pull Request №6582 RosettaCommons/main/interactive/develop ← RosettaCommons/main/roccomoretti/fix_lua_score_upweighting
Merge: 6d10a42151666e9c100b22b595f6b77b1fa169ed←c18b1ac3af43e362a42084d6fb334d7ed076f642
[Foldit] Fix GetSegmentEnergyScore for reweighted residues.
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Merge commit message:
[Foldit] Fix GetSegmentEnergyScore for reweighted residues.
Ligand design puzzles upweight residues. This is properly accounted for in the GetSegmentEnergySubscore lua functions, but not for the GetSegmentEnergyScore function.
Correct this oversight.
RELEASE NOTES: Fix incorrect values sometimes reported by the GetSegmentEnergyScore Lua function
Pull Request №6576 RosettaCommons/main/interactive/develop ← RosettaCommons/main/interactive/petrides/r_factor_calc
Merge: 1f8144251a006aeff883d5446895e3f2feaa54f3←3e83a2fddbc759e2d0ce5e1b2f2c7ed9d96ea374
[Foldit] R-factor Calculation
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Merge commit message:
major changes to code for computed density. created simplified functions for rhoC and rhoMask, and added numerous functions for reciprocal space calculation to lay the groundwork for r_factor scoring, and b-factor/bulk solvent minimization