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Developer Preview Release Soon

Hey everyone,

We're about to release a small update to the developer preview with the following fixes and features:

Electron Density:
* Readjusted the threshold slider scaling to give more useful range.

Scripting:
* Added hooks for inserting/deleting residues. structure.InsertResidue(index) will insert an ALA after the index residue (0 to put it at the beginning). structure.RemoveResidue(index) will remove the residue at index.

Bug Fixes:
* Fixed Remix script call returning 1 too many results.
* Selecting the same remix result will now always give the same backbone/score.
* Idealize should be more reliable, as it will now idealize Omega torsions as well.

(Tue, 05/10/2016 - 18:00  |  0 comments)

Happy 8th Birthday, Foldit!

Happy birthday, Foldit! Remember this bit of news? Well, it's been eight years (as of yesterday) and we're celebrating all day on Twitter with some #Foldit8 facts, new infographics to share, and of course reminding everyone what a great game Foldit continues to be as we grow and improve through the years.

Thank you, community, for making Foldit a successful place to learn and gather. We couldn't do all this without you.

(Why today? Well what fun is throwing a party at the end of the weekend?)

(Mon, 05/09/2016 - 14:12  |  4 comments)

Drug Design Update (Experimental Client Release)

There is a new update to the drug design build. The fixes include:

1) Better support for wiggle/shake
2) Fix crashes associated with MMFF
3) Fix numerous errors associated with adding fragments

Please post all errors in this thread.

(Fri, 05/06/2016 - 18:37  |  14 comments)

New Release!

Hey everyone!

We've just released a new update to the main client. Included is a big rework of the Remix tool, and some other small fixes and features.

General:
* Quicksave slots 1-8 are now available through hotkeys.
* Constraints can be hidden/shown in the view options menu.

Tools:
* Remix: Remix has been significantly reworked. Running Remix will now pop up an interface which allows you to select among a list of options. The tool will also now only modify the selected region, instead of moving the rest of the protein along with it. Pressing the Plus button will allow you to store multiple results in quicksave slots 1-8. A score estimate for each result is displayed in the UI.
* Remix is now available on all puzzles.
* Ramachandran Plot: The minimum size of the panel is now smaller.

Selection Interface:
* The Secondary Structure assignment buttons are now in a "Drawer" in the Selection Interface.

Scripting:
* Updated the scripting interface for the new Remix tool. structure.RemixSelected(start, num) will now store up to num results into your quicksave slots, beginning at start. The function will return the actual number of results inserted.
* save.QuicksaveEmpty(slot) will now return whether or not that quicksave slot is empty.

Bug Fixes:
* Small adjustments to ideality scoring due to a misspelling in the database.
* Fixed a crash on loading ligands.

As always, a big thanks to our devprev players for testing this release!

(Wed, 05/04/2016 - 00:51  |  1 comment)

Drug Design Update: Merk Molecular Force Field

Today we are releasing a new way to wiggle small molecules, the Merk Molecular Force Field (MMFF). This wiggle action uses a different scoring scheme (MMFF) than the current wiggle button. In the current implementation of wiggle, it is possible for the small molecule to “fold” in on itself. With MMFF, this shouldn’t be a problem. MMFF is also very good at optimizing hydrogen bonds and the torsional space of the small molecule. There are some optimization problems that need to be worked out with MMFF (as you can see from the videos), but for now, give it a try and let us know what you think! It should be noted that this is only available through the selection interface, for now.

Here are some comparison videos.
Small molecule with MMFF
Small molecule with Wiggle

In addition to the new wiggle of molecules, there are numerous bug fixes in this release. These include fixes for:

1) When switching menus, custom geometry does not disappear. (changing from design to pulling the molecule around)
2) Game freezes when rotamers are generated
3) Too much output in logs
4) When loop building around the ligand, game crashes
5) Replacing atoms crashes - a lot
6) Selection interface quirks

Enjoy, and please post all your bugs in feedback and suggestions and science questions right here in the thread.

( Posted by  free_radical 105 1785  |  Tue, 05/03/2016 - 19:06  |  10 comments )
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