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Add support for CONECT lines in PDB file (load and dump bonds) #250

Merged
merged 5 commits into from
Apr 29, 2021
Merged

Add support for CONECT lines in PDB file (load and dump bonds) #250

merged 5 commits into from
Apr 29, 2021

Commits on Mar 30, 2021

  1. PDB format: Load and dump CONECT lines

    @tovrstra
    tovrstra committed Mar 30, 2021
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  2. Use more pytest.mark.parametrize

    @tovrstra
    tovrstra committed Mar 30, 2021
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Commits on Apr 14, 2021

  1. Change bond type 1 to unknown in pdb

    @tovrstra
    tovrstra committed Apr 14, 2021
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  2. Fix few issues in CONECT dumping

    @tovrstra
    tovrstra committed Apr 14, 2021
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  3. Support multiline TITLE and improve handling of COMPND

    @tovrstra
    tovrstra committed Apr 14, 2021
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