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56a21103

Commit 56a21103 authored 14 years ago by Marco Biasini

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support for reading of SEQRES records

The residue names listed in the SEQRES record get automatically translated to
one-letter-codes. Requires the presence of the rule-based builder to work
properly. Turned off by default

parent 030525fe

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Changes 13

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modules/conop/src/rule_based_builder.hh 3 additions, 1 deletion

modules/conop/src/rule_based_builder.hh
modules/io/pymod/__init__.py 7 additions, 1 deletion

modules/io/pymod/__init__.py
modules/io/pymod/export_pdb_io.cc 3 additions, 0 deletions

modules/io/pymod/export_pdb_io.cc
modules/io/src/mol/pdb_reader.cc 66 additions, 1 deletion

modules/io/src/mol/pdb_reader.cc
modules/io/src/mol/pdb_reader.hh 9 additions, 2 deletions

modules/io/src/mol/pdb_reader.hh
modules/io/tests/test_io_pdb.cc 39 additions, 0 deletions

modules/io/tests/test_io_pdb.cc
modules/io/tests/testfiles/pdb/seqres.pdb 1155 additions, 0 deletions

modules/io/tests/testfiles/pdb/seqres.pdb
modules/mol/base/pymod/export_residue.cc 2 additions, 0 deletions

modules/mol/base/pymod/export_residue.cc
modules/seq/base/src/impl/sequence_impl.cc 26 additions, 0 deletions

modules/seq/base/src/impl/sequence_impl.cc
modules/seq/base/src/impl/sequence_impl.hh 5 additions, 1 deletion

modules/seq/base/src/impl/sequence_impl.hh
modules/seq/base/src/sequence_handle.cc 18 additions, 0 deletions

modules/seq/base/src/sequence_handle.cc
modules/seq/base/src/sequence_handle.hh 8 additions, 0 deletions

modules/seq/base/src/sequence_handle.hh
modules/seq/base/tests/test_sequence.cc 15 additions, 0 deletions

modules/seq/base/tests/test_sequence.cc

with 1356 additions and 6 deletions

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