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charnley / rmsd

Calculate Root-mean-square deviation (RMSD) of two molecules, using rotation, in xyz or pdb format
BSD 2-Clause "Simplified" License
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Citations and license are outputted to terminal with the help message #18

Closed KPLauritzen closed 7 years ago

KPLauritzen commented 7 years ago

There is no reason to print these messages when the user ask for the help message

license:
  https://github.com/charnley/rmsd/blob/master/LICENSE

citation:
  Kabsch algorithm:
    Kabsch W., 1976, A solution for the best rotation to relate two sets of
    vectors, Acta Crystallographica, A32:922-923, doi:10.1107/S0567739476001873

  Quaternion algorithm:
    Michael W. Walker and Lejun Shao and Richard A. Volz, 1991, Estimating 3-D
    location parameters using dual number quaternions, CVGIP: Image
    Understanding, 54:358-367, doi: 10.1016/1049-9660(91)90036-o

  Implementation:
    Calculate RMSD for two XYZ structures, GitHub,
    http://github.com/charnley/rmsd

This is fine in the github readme, but when using it in terminal we only need the Usage information

charnley commented 7 years ago

I see your point. Will add reference til the GitHub page and delete all the cite/license info from --help.

charnley commented 7 years ago

Fixed in c5c7bd5de3db34ef2a5996f0b64dd37c72e1c298

larsbratholm commented 7 years ago

Could add "--licence" argument.

On 19 May 2017 at 12:33, Jimmy Charnley Kromann notifications@github.com wrote:

Closed #18 https://github.com/charnley/rmsd/issues/18.

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