commit 2678f85c0118c0ae22e5389a9c69bbfb0662caef Merge: c438962 8315008 Date: Wed May 23 13:55:51 2018 -0700 Merge pull request #3216 from RosettaCommons/vmullig/add_octahedral_metals Add support for octahedrally-coordinated metals to the CrosslinkerMover and to the simple_cycpep_predict application commit c43896257b3c651ecadc3076f6c2a49d27b01c29 Merge: 6ce6fb3 d388048 Date: Mon May 21 10:38:38 2018 -0500 Merge pull request #3219 from RosettaCommons/roccomoretti/clang6 Fix Clang 6.0 issues. Clang 6 has a 'private field is not used' warning (-Wunused-private-field) which was triggering in several places, causing Werror issues. commit 6ce6fb3fe3ce8c153d71b4a5320c62b14ae2eb08 Merge: 1cdfc60 ce90816 Date: Fri May 18 11:51:17 2018 -0500 Merge pull request #3214 from RosettaCommons/jadolfbr/fix_xcode_project Fix Xcode Project Generation This PR updates the Xcode project generation, post-protocols.3 split. It also adds documentation for how to do it, from much trial-and-error. @weitzner and I will attempt an automated solution - but this is not trivial and will take some generous time to do. commit 1cdfc600cfe87cb1f733259dbc36c6734721770d Merge: 703f86c 3ae04a4 Date: Wed May 16 15:13:34 2018 -0700 Merge pull request #2521 from RosettaCommons/vmullig/add_metal_xlinks Allow the CrosslinkerMover to place tetrahedrally-coordinated metals commit 703f86c7a304bd705bb7b9291b4fbc5ababf51c8 Merge: a5ecadc 1177df9 Date: Wed May 16 11:25:47 2018 -0600 Merge pull request #3217 from RosettaCommons/sergey/binder Updating PyRosetta documentation generation procedure so undocumented C++ classes is also listed. commit a5ecadc73f7b9b7345f7da74610c7590dd841741 Date: Tue May 15 14:25:14 2018 -0400 adding PyMOL-RosettaServer.python3.py into PyRosetta package commit c3cd4400490f888503d604d51c7e8d825f593b62 Merge: 53cb5fa 2b483bf Date: Mon May 14 23:18:01 2018 -0700 Merge pull request #3215 from RosettaCommons/vmullig/fix_lariat_filtering Fixing a little mistake affecting lariat structure prediction. I had some exclusion logic backwards for filtering. I meant to exclude the cyclization side-chain from Ramachandran filtering, but was actually excluding the terminus involved in the cyclization. Corrected. @stephen-rettie commit 53cb5fadea609a18c0173edb54fe0dbfda3104f1 Merge: b8ee03d 74f7f3c Date: Mon May 14 16:39:32 2018 -0500 Merge pull request #3132 from RosettaCommons/roccomoretti/nan_debugging Fix NaN issue in FastSaxsEnergy, with additional NaN/Inf checking elsewhere I spent a bit of time tracking down a NaN issue coming from the fastsaxs scoreterm. Add diagnostics to better report input file format failure cases. Also, add some helper functions to help do debugging for the source of NaN/Inf. Add a few judicious debug_asserts() to ScoreFunction, Minimizer and AtomTree to help catch NaN/Inf before the propagate too far. commit b8ee03d276a199775954bebc9008727541271d47 Date: Mon May 14 16:59:47 2018 -0400 RosettaAI: Setting rosetta_scripts_scripts submodule to latest origin/master version. commit 6c434eb01fa9fd3b37df5fc9e556b80623b2e076 Merge: 44710f9 ee57fa9 Date: Mon May 14 12:31:11 2018 -0700 Merge pull request #3201 from RosettaCommons/bcov/BuriedUnsatDdGStyleFix Adding ddG_style_dont_recalc_surface to BuriedUnsatisfiedHbondFilter