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RdkitConverter with sanitization#2799

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cbouy wants to merge 10 commits intoMDAnalysis:developMDAnalysis/mdanalysis:developfrom cbouy:rdkit-sanitizecbouy/mdanalysis:rdkit-sanitizeCopy head branch name to clipboard

+446-12

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Commits on Jun 19, 2020

• simple converter

  

  Cédric Bouysset

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  90fccce

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Commits on Jun 22, 2020

• add PDB residue info and guessers

  

  Cédric Bouysset

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  ba0f89e

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Commits on Jun 24, 2020

• fix 2 letter atom names and fix bond order

  

  Cédric Bouysset

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  b54ec60

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• test mol2 topology and pdb info

  

  Cédric Bouysset

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  ac38ceb

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Commits on Jun 25, 2020

• autopep8

  

  Cédric Bouysset

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  de5560b

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• fix code review

  

  Cédric Bouysset

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  b00dee3

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• store other attributes in each atom

  

  Cédric Bouysset

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  495217d

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• more tests on topology + pep8

  

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  eb5d365

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Commits on Jun 26, 2020

• fix other props type

  

  Cédric Bouysset

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  1774963

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• bond order and charges

  

  Cédric Bouysset

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  81eea81

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