Merge pull request #5670 from RosettaCommons/roccomoretti/interactive_fix_linux_restart
[Foldit] Fix Linux crash on update.
Fix the issue where the Linux client crashes on update. It looks like we were using the execv() function slightly wrong. Apparently, you're supposed to also give the program name in the argument list, in addition to the first parameter.
I've also included a few variable initializations which were pointed out by Valgrind.
Release Notes: Fix crashes of the Linux client when updating.
Merge pull request #5642 from RosettaCommons/joshmiller/5422-v2
[Foldit] Update structure_IsLocked to include sidechain info
Release notes:
- Modified Lua function structure.IsLocked to also report whether the sidechain is locked
Merge pull request #5423 from RosettaCommons/joshmiller/20210528_Hansen
[Foldit] Add Lua function recipe.GetInfo
Release notes:
- Added Lua function recipe.GetInfo which returns the recipe's name and ID.
Merge pull request #5615 from RosettaCommons/joshmiller/rotamer-hotkey
[Foldit] Add ctrl+arrows to cycle rotamers
Release notes:
- Pressing left/right with a single residue selected will now cycle rotamers
- Pressing ctrl + left/right with the Residue Info panel open will now cycle which residue is shown in the info panel
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.