-
- Downloads
Modified CHARMM crd format reader and writer:
- fixed continuous residue numbering (BZDNG-286) - fixed bug with empty lines - fixed bug with reading residue name in std format - write b_factor in EXT format - segment name is now cname instead of 'MOL' - fixed alignment of residue name in std format - add documentation - add unit tests - possibility to request EXT format
Showing
- .gitignore 2 additions, 1 deletion.gitignore
- modules/base/src/test_utils/compare_files.cc 3 additions, 3 deletionsmodules/base/src/test_utils/compare_files.cc
- modules/io/src/mol/entity_io_crd_handler.cc 84 additions, 27 deletionsmodules/io/src/mol/entity_io_crd_handler.cc
- modules/io/src/mol/entity_io_crd_handler.hh 17 additions, 9 deletionsmodules/io/src/mol/entity_io_crd_handler.hh
- modules/io/tests/test_io_crd.cc 117 additions, 2 deletionsmodules/io/tests/test_io_crd.cc
- modules/io/tests/testfiles/crd/empty_line_at_end.crd 14 additions, 0 deletionsmodules/io/tests/testfiles/crd/empty_line_at_end.crd
- modules/io/tests/testfiles/crd/multisegment.crd 46 additions, 0 deletionsmodules/io/tests/testfiles/crd/multisegment.crd
- modules/io/tests/testfiles/crd/test_in.crd 12 additions, 12 deletionsmodules/io/tests/testfiles/crd/test_in.crd
Loading
Please register or sign in to comment