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Merge branch 'develop' into release-1.7
This was a necessary evil since the upcoming PM3 release relies on having the newly added sec_struct functionality in place. The changes are additive and do not break any existing code based on previous OST versions.
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- modules/io/src/mol/mmcif_reader.cc 16 additions, 8 deletionsmodules/io/src/mol/mmcif_reader.cc
- modules/io/tests/test_mmcif_reader.cc 13 additions, 3 deletionsmodules/io/tests/test_mmcif_reader.cc
- modules/mol/alg/doc/molalg.rst 44 additions, 8 deletionsmodules/mol/alg/doc/molalg.rst
- modules/mol/alg/pymod/CMakeLists.txt 1 addition, 0 deletionsmodules/mol/alg/pymod/CMakeLists.txt
- modules/mol/alg/pymod/export_accessibility.cc 16 additions, 6 deletionsmodules/mol/alg/pymod/export_accessibility.cc
- modules/mol/alg/pymod/export_sec_structure.cc 43 additions, 0 deletionsmodules/mol/alg/pymod/export_sec_structure.cc
- modules/mol/alg/pymod/wrap_mol_alg.cc 2 additions, 0 deletionsmodules/mol/alg/pymod/wrap_mol_alg.cc
- modules/mol/alg/src/CMakeLists.txt 2 additions, 0 deletionsmodules/mol/alg/src/CMakeLists.txt
- modules/mol/alg/src/accessibility.cc 277 additions, 66 deletionsmodules/mol/alg/src/accessibility.cc
- modules/mol/alg/src/accessibility.hh 45 additions, 9 deletionsmodules/mol/alg/src/accessibility.hh
- modules/mol/alg/src/sec_struct.cc 665 additions, 0 deletionsmodules/mol/alg/src/sec_struct.cc
- modules/mol/alg/src/sec_struct.hh 81 additions, 0 deletionsmodules/mol/alg/src/sec_struct.hh
- modules/mol/alg/tests/CMakeLists.txt 3 additions, 2 deletionsmodules/mol/alg/tests/CMakeLists.txt
- modules/mol/alg/tests/test_accessibility.py 46 additions, 6 deletionsmodules/mol/alg/tests/test_accessibility.py
- modules/mol/alg/tests/test_partial_sec_struct_assignment.cc 88 additions, 0 deletionsmodules/mol/alg/tests/test_partial_sec_struct_assignment.cc
- modules/mol/alg/tests/test_sec_struct.py 35 additions, 0 deletionsmodules/mol/alg/tests/test_sec_struct.py
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