Feedback for Foldit Standalone
It's currently difficult to select multiple, discontiguous regions of a protein. SHIFT+Click is useful for selecting a range; CTRL+Click is useful for adding a single residue to a selection; but they cannot be used well in conjunction.
E.g. To select select residues [2-10; 20-25], I would like to: Click 2, SHIFT+Click 10, CTRL+Click 20, SHIFT+Click 25
For debugging RosettaScripts, it would be helpful to be able to view the RosettaScripts output directly from the standalone.
1. Load a PDB that includes a ligand, along with appropriate params file.
2. Save session.
3. Restart client and attempt to load saved session.
4. Crash with output:
ERROR: unrecognized aa type
ERROR:: Exit from: /Users/folditbuilder/foldit/rosetta-interactive/source/src/core/chemical/AA.cc line: 292
In Selection Interface, I'm unable to customize the behavior of ActionMutate in the Mutation menu:
1. Select a residue, press 'M' for Mutation menu.
2. Manually check boxes for ResidueTypes I want to allow.
3. Click on background or 'B' to go back, or 'Y' to start Mutate.
4. Checkboxes reset (!) and Mutate follows default behavior.
Note: Within the Mutation menu, the buttons 'J', 'Z', and 'X' function as expected and effectively toggle "Apolar," "Polar," and "All" ResidueTypes; this successfully changes the behavior of ActionMutate. It seems that only manual adjustments are not registered.
TaskOperation elements in a RosettaScripts XML can be used to control the behavior of the packer at each residue, but it can be difficult to write these TaskOperation elements to produce desired behavior. Some TaskOperations behave non-intuitively, and it can be tough to follow the logic of ResidueSelectors.
It would be great if there were a button in the standalone to "Check TaskOperations," that could parse each TaskOperation in a RosettaScripts XML, and color which residues are designable (and to which residue types), which are restricted to repacking, and which cannot be repacked.
Allow users to load their favorite RosettaScripts into a local "cookbook," so they don't have to navigate the file system to access frequently-used RosettaScripts. Potentially, use this to distribute a handful of common or template RosettaScripts with the standalone.
A lot of people like to calculate biochemical metrics that are not present in the score function, and these are typically implemented as RosettaScripts ReportFilters that inherit the report_sm() function. It would be HUGE if standalone users could view these metrics directly in Foldit as they modify the pose.
Many people use the GREMLIN server for predicted contacts, which are output in a tabular format with a header line (example: http://openseq.org/sub_txt.php?id=1476807290).
Foldit can *almost* load this file, but requires two small revisions in the header line: You have to prefix the line with '##' and change the column name 'prob' to 'weight'. Is it possible to add support for parsing the raw GREMLIN output?
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