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4d01e712

Commit 4d01e712 authored 13 years ago by Tobias Schmidt

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added pdbx_type as ChemType to compound and residue

-> you must recreate your compounds.chemlib database to activate
   this feature using the chemdict_tool

parent c2cf4117

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Changes 13

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modules/conop/pymod/export_compound.cc 7 additions, 0 deletions

modules/conop/pymod/export_compound.cc
modules/conop/src/compound.hh 15 additions, 1 deletion

modules/conop/src/compound.hh
modules/conop/src/compound_lib.cc 31 additions, 15 deletions

modules/conop/src/compound_lib.cc
modules/conop/src/compound_lib.hh 1 addition, 0 deletions

modules/conop/src/compound_lib.hh
modules/conop/src/rule_based_builder.cc 2 additions, 0 deletions

modules/conop/src/rule_based_builder.cc
modules/io/src/mol/chemdict_parser.cc 29 additions, 1 deletion

modules/io/src/mol/chemdict_parser.cc
modules/io/src/mol/chemdict_parser.hh 5 additions, 1 deletion

modules/io/src/mol/chemdict_parser.hh
modules/mol/base/pymod/export_residue.cc 19 additions, 1 deletion

modules/mol/base/pymod/export_residue.cc
modules/mol/base/src/CMakeLists.txt 1 addition, 0 deletions

modules/mol/base/src/CMakeLists.txt
modules/mol/base/src/chem_type.hh 104 additions, 0 deletions

modules/mol/base/src/chem_type.hh
modules/mol/base/src/impl/residue_impl.hh 8 additions, 0 deletions

modules/mol/base/src/impl/residue_impl.hh
modules/mol/base/src/residue_base.cc 12 additions, 0 deletions

modules/mol/base/src/residue_base.cc
modules/mol/base/src/residue_base.hh 13 additions, 2 deletions

modules/mol/base/src/residue_base.hh

with 247 additions and 21 deletions

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