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d6a289c0

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Commit d6a289c0 authored 9 years ago by Michele Ceriotti

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Used MOLINFO to pass atom names to output files in OUTPUT_PDB

parent acdaa3b4

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src/analysis/OutputPDBFile.cpp 13 additions, 2 deletions

src/analysis/OutputPDBFile.cpp
src/analysis/ReadDissimilarityMatrix.cpp 4 additions, 2 deletions

src/analysis/ReadDissimilarityMatrix.cpp
src/reference/ReferenceAtoms.cpp 17 additions, 6 deletions

src/reference/ReferenceAtoms.cpp
src/reference/ReferenceAtoms.h 1 addition, 1 deletion

src/reference/ReferenceAtoms.h
src/reference/ReferenceConfiguration.cpp 4 additions, 3 deletions

src/reference/ReferenceConfiguration.cpp
src/reference/ReferenceConfiguration.h 2 additions, 1 deletion

src/reference/ReferenceConfiguration.h

with 41 additions and 15 deletions

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