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c1d01653

Verified Commit c1d01653 authored 1 year ago by Xavier Robin

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feat: SCHWED-5977 read charge if present in mmCIF reader

parent 8cee0b7a

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modules/io/src/mol/mmcif_reader.cc 11 additions, 0 deletions

modules/io/src/mol/mmcif_reader.cc
modules/io/src/mol/mmcif_reader.hh 3 additions, 2 deletions

modules/io/src/mol/mmcif_reader.hh
modules/io/tests/test_mmcif_reader.cc 17 additions, 0 deletions

modules/io/tests/test_mmcif_reader.cc
modules/io/tests/testfiles/mmcif/4C79_charged.cif 289 additions, 0 deletions

modules/io/tests/testfiles/mmcif/4C79_charged.cif

with 320 additions and 2 deletions

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