Merge pull request #5454 from RosettaCommons/20210606_Hansen
[Foldit] Add Lua Functions for GetABEGOColor
Release notes:
- Added Lua function GetABEGOColor() which takes a residue number and returns its ABEGO color as a letter
- Added Lua function GetABEGOColorAll() which returns a table of residue numbers mapping to their ABEGO color as a letter
Merge pull request #5661 from RosettaCommons/roccomoretti/interactive_reaction_design_tutorial_consistency
[Foldit] Fix behavior of Reaction Design tutorial.
Set the random seed for the conformer generation in the Reaction Design tool, such that selecting the same reagents always gives you the same conformer. This should fix the 'ligand jumps around, even with the same settings' behavior that's been noticed in the Reaction Design tutorial (and which makes it harder to solve). This should actually revert the behavior to what it was prior to the recent RDKit updates.
Release Notes: Made the Reaction Design Tutorial behave more consitently
Merge pull request #5653 from RosettaCommons/roccomoretti/interactive_ligand_design_undo
[Foldit] Fix Small Molecule Design undo.
Fix issues with Undo and Small Molecule Design.
Remove redundant push_undo() calls
Change color of Small Molecule Design actions in the Undo graph.
Release Notes: Fix behavior of undo with Small Molecule Design tool.
Merge pull request #5651 from RosettaCommons/roccomoretti/interactive_hotfix_tutorial
[Foldit] Hotfix for tutorial phrasing.
Wrong word choice was used.
Merge pull request #5648 from RosettaCommons/roccomoretti/interactive_fix_restype_loading
[Foldit] Hotfix for crashes in drug design puzzles.
The merge with master introduced a bug where the restype being loaded from the binary is being shadowed by a local variable, rather than being properly loaded into the parameter. This should fix that, as well as giving a more sensible error (rather than a segfault) if something like this happens again.
Also fix an off-by-one error in the Binding Site view.
Release Notes: Fix crashes on re-loading small molecule design puzzles.
Merge pull request #5650 from RosettaCommons/roccomoretti/interactive_fix_fragment_sdf
[Foldit] Hotfix for issues with fragment SDF.
There was a formatting error (extra spaces) with one of the fragments which was causing it not to load properly.
Merge pull request #5643 from RosettaCommons/roccomoretti/interactive_TPSA
[Foldit] Add TPSA filter.
Add a filter which is able to penalize TPSA.
This is intended as a "hotfix" to the current drug design release. This is something we're interested in using for the first drug design puzzles, but it looks like we didn't have support for it already.
Merge pull request #5645 from RosettaCommons/roccomoretti/interactive_adjust_ligand_intro
[Foldit] Hotfix updates to the new ligand tutorials.
Adjustments to how the new ligand tutorials are structured, taking into account Brian's comments and my own thoughts.
This is intended as a hotfix to the pending release.
Merge pull request #5647 from RosettaCommons/roccomoretti/fix_noisy_selection_mode
[Foldit] Hotfix issue with clicking in Selection Mode.
This PR is intended as a hotfix for the currently pending release.
There was a bug where clicking any non-ligand-designable position (even in puzzles without ligand design) would show an error message from ligand design mode. This PR suppresses that error message, and only makes the relevant code happen when ligand design is active.
(The message was too chatty anyway - we actually don't need to popup. Doing nothing is feedback enough, as if you can do something, it will display a highlighted atom.)