Bug fixes:
1) Max pose selection count in TopNByProperty pose selector.
2) MultiplePoseMover: Drop poses for which sub-protocol failed (via mover status).
Unit tests: Pass.
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Fixing warning that broke the build under gcc 4.7.2
I added a cast in StructureFeatures::write_schema_to_db from uint32 to SSize to avoid 'comparison between signed and unsigned integer' warning
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Merging vmullig/metals into master. This fixes some bugs in automatic metal setup and in handling noncanonical amino acids templated on canonicals.
--All canonical l-amino acids are now metalbinding, since the backbone carbonyl coordinates metals in some structures.
--Some bugs in src/core/util/metalloproteins_util.cc have been fixed.
--An assertion failure in debug mode in metalloproteins_util.cc has been fixed.
--An assertion failure in debug mode with templated noncanonicals has been fixed.
--BPY.params has been tweaked to avoid a (benign) assert failure.
Unit test status: All Pass
Integration test status: 1 changed test:
The carbohydrates integration test shows cosmetic changes (since it outputs loaded residue type properties, including whether the types are metalbinding or not).
modified: database/chemical/residue_type_sets/fa_standard/residue_types/l-caa/ALA.params
modified: database/chemical/residue_type_sets/fa_standard/residue_types/l-caa/ARG.params
modified: database/chemical/residue_type_sets/fa_standard/residue_types/l-caa/ASN.params
modified: database/chemical/residue_type_sets/fa_standard/residue_types/l-caa/ASP.params
modified: database/chemical/residue_type_sets/fa_standard/residue_types/l-caa/CYD.params
modified: database/chemical/residue_type_sets/fa_standard/residue_types/l-caa/CYS.params
modified: database/chemical/residue_type_sets/fa_standard/residue_types/l-caa/CYV.params
modified: database/chemical/residue_type_sets/fa_standard/residue_types/l-caa/CYZ.params
modified: database/chemical/residue_type_sets/fa_standard/residue_types/l-caa/GLN.params
modified: database/chemical/residue_type_sets/fa_standard/residue_types/l-caa/GLU.params
modified: database/chemical/residue_type_sets/fa_standard/residue_types/l-caa/GLY.params
modified: database/chemical/residue_type_sets/fa_standard/residue_types/l-caa/HIS.params
modified: database/chemical/residue_type_sets/fa_standard/residue_types/l-caa/HIS_D.params
modified: database/chemical/residue_type_sets/fa_standard/residue_types/l-caa/ILE.params
modified: database/chemical/residue_type_sets/fa_standard/residue_types/l-caa/LEU.params
modified: database/chemical/residue_type_sets/fa_standard/residue_types/l-caa/LYS.params
modified: database/chemical/residue_type_sets/fa_standard/residue_types/l-caa/MET.params
modified: database/chemical/residue_type_sets/fa_standard/residue_types/l-caa/PHE.params
modified: database/chemical/residue_type_sets/fa_standard/residue_types/l-caa/PRO.params
modified: database/chemical/residue_type_sets/fa_standard/residue_types/l-caa/SER.params
modified: database/chemical/residue_type_sets/fa_standard/residue_types/l-caa/THR.params
modified: database/chemical/residue_type_sets/fa_standard/residue_types/l-caa/TRP.params
modified: database/chemical/residue_type_sets/fa_standard/residue_types/l-caa/TYR.params
modified: database/chemical/residue_type_sets/fa_standard/residue_types/l-caa/VAL.params
modified: database/chemical/residue_type_sets/fa_standard/residue_types/metal_binding_ncaa/BPY.params
modified: database/chemical/residue_type_sets/fa_standard/residue_types/metal_ions/CA.params
modified: source/src/apps/pilot/vmullig/test_metalloproteins.cc
modified: source/src/core/import_pose/import_pose.cc
modified: source/src/core/pack/dunbrack/RotamericSingleResidueDunbrackLibrary.tmpl.hh
modified: source/src/core/util/metalloproteins_util.cc
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Carbohydrates: adding new sugars to database
----------------------------------------
Unit test status: Not Run
Integration test status: Not Run
carbohydrates, rings: change in number of ResidueTypes reported expected
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(part of fix) removing highly illegal dependency of ObjexxFCL on utility (due to change of assert to runtime_assert, which was useful for debugging but not critical).
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To use this protocol via BOINC the random number has to be moved outside the class in order for the BOINC build to initialze it otherwise a null pointer will be generated and the protocol will crash
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