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bf46ad1a

Commit bf46ad1a authored 10 years ago by BIOPZ-Johner Niklaus

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Added charges to compounds and their atoms in the compound_lib.

parent c83dc484

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Changes 6

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modules/conop/pymod/export_compound.cc 15 additions, 0 deletions

modules/conop/pymod/export_compound.cc
modules/conop/src/compound.hh 14 additions, 5 deletions

modules/conop/src/compound.hh
modules/conop/src/compound_lib.cc 17 additions, 10 deletions

modules/conop/src/compound_lib.cc
modules/conop/src/standard_compounds.cc 743 additions, 743 deletions

modules/conop/src/standard_compounds.cc
modules/io/src/mol/chemdict_parser.cc 8 additions, 2 deletions

modules/io/src/mol/chemdict_parser.cc
modules/io/src/mol/chemdict_parser.hh 2 additions, 1 deletion

modules/io/src/mol/chemdict_parser.hh

with 799 additions and 761 deletions

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