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What are the pharmacophores attributes needed to make the class really universal? #3

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dprada opened this issue May 11, 2018 · 2 comments
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@dprada
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dprada commented May 11, 2018

'Set02/ZINCpharmer.json' has a couple of attributes of points not imported by the pharmer pymol script. Are they really necessary?

They are:

  • 'maxsize': '',
  • 'minsize': '',
  • 'requirement': 'required',
  • 'size': 1,
  • 'vector_on': 1,
@dprada dprada added the question Further information is requested label May 11, 2018
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dprada commented May 11, 2018

'Set02/pharmit.json' has also another new attribute for points:

  • 'hasvec': True,

@dprada
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dprada commented May 11, 2018

Not only that... 'Set02/pharmit.json' has points with a name not recognized by the pymol script: 'InclusionSphere'.

This name is not defined in the color mapping dictionary for point names. If we don't have a better idea, I will include it with a random color with the comment ("# To be checked).

@dprada dprada changed the title Whare are the pharmacophores attributes needed to make the class really universal? What are are the pharmacophores attributes needed to make the class really universal? May 14, 2018
@dprada dprada changed the title What are are the pharmacophores attributes needed to make the class really universal? What are the pharmacophores attributes needed to make the class really universal? May 14, 2018
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