Have had 2 crashes when clicking C or N in ligand design menu, but can't reproduce at will.
After each crash, on restarting the client, the ligand appears outside the protein instead of inside it, despite the fact that I never moved it outside the protein. Saved this pose and shared with scientists as "save1 ligand outside".
After each crash, restore absolute best and restore credit best do not change the protein or the score. I am unable to get my high score back.
Hi Susume,
Thank you for this information! Do you know which atoms you clicked on when you changed it to C or N? Was it a hydrogen or a heavy atom?
I did not have hydrogens displayed, so I assume it was always a heavy atom. Unless it is possible to select a hydrogen without knowing it when they are not displayed - no idea how to test for that.
This is not just after a crash. After an orderly shutdown and restart, the ligand appears outside the protein instead of where I left it, and I cannot recover credit best or absolute best. Under Open/Share, autosaves, both my absolute best and credit best appear in the list with scores of 9794, but when I attempt to load them they do not load (although the popup says "solution loaded") and the score stays at -81K.
Win 7 build 20151104-151520ae39-win_x86-devprev
Actually after displaying the hydrogens (using stick+H view), I find that I can't select an H to change it. When I click an H, it either does nothing, or selects the heavy atom that the H is attached to.
Awesome. Thank you for the report Susume and I am sorry for the frustrations. Before you closed the game, did you move the ligand away from the binding pocket?
I just rotated it a tiny bit and slid it a tiny bit to the side - nowhere near moving it out of the pocket. Not sure if there was a puzzle reset in between doing that and the moves that resulted in crashing.
I wonder if I put too much of a penalty on the ligand center filter. I will try and reproduce this failure.
Reached a new high score and saved protein. Opened a new client (without closing old one). Protein loads with ligand mostly outside protein and score of -39K. Loaded the new save (which shows in list with score of 9814). Popup says "solution loaded" but protein does not change and score stays at -39k. Hit A to restore best - it stays at -39k.
Went back to first client. Loaded the manual save marked 9814 - it loads at -39k. Hit A to restore best, and it goes back to 9814. So in the client that has stayed open, absolute best loads correctly but the manual save doesn't. In the newly opened client, both absolute best and the manual save are wrong. Both are using default track.
So you can conclude that the absolute best in memory is not equal to the absolute best stored on disk, OR that loading or writing something from/to disk is not doing a good job. My 2 cents.