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[DEVPREV] Small Molecule Design Test
Status: Closed

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LociOiling's picture
User offline. Last seen 1 hour 27 min ago. Offline
Joined: 12/27/2012
Groups: Beta Folders
so far, so good

With release 20171121-af5a1fc5da-win_x86-devprev on Windows 10, no crashes with wiggling, shaking, or designing the small molecule.

Solutions seem to save, share, and restore normally.

One issue is that error messages tend to "pop under" the toolbars. For example, attempting to add an oxygen to a benzene, an error occurs, but the message is hidden behind the now-dimmed list of atoms.

Small molecule design - obscured error message: Error messages can be hidden by the toolbar.Small molecule design - obscured error message: Error messages can be hidden by the toolbar.


There are also lots of interesting messages in log.txt, such as

core.conformation.Residue: DANGER: almost got stuck in infinite loop!  Atom 3 is apparently a parent AND child of atom 7.

and

autodeterimine_chi:
Problem with ligand sanity.
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Developed by: UW Center for Game Science, UW Institute for Protein Design, Northeastern University, Vanderbilt University Meiler Lab, UC Davis
Supported by: DARPA, NSF, NIH, HHMI, Amazon, Microsoft, Adobe, RosettaCommons