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Add new visualization options for pymol #36

Merged
13 commits merged into from
Oct 16, 2023
Merged

Add new visualization options for pymol #36

13 commits merged into from
Oct 16, 2023

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DomFijan
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@DomFijan DomFijan commented Oct 6, 2023 •
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Adds new visualization options for pymol:

  1. flag to include polar contacts - hydrogen bonds
  2. To reinitialize pymol upon call
  3. To lunch pymol in interactive mode or not
  4. fixes FileNotFoundError: [WinError 2] The system cannot find the file specified: 'hoh.cif' WaterNetworkAnalysis#9
  5. Fix visualization to give a preferred hydrogen as red in HCW
  6. WCW's with multiple preferred orientations are now part of a single WCW object

@DomFijan DomFijan marked this pull request as ready for review October 8, 2023 00:06
@DomFijan DomFijan requested a review from JecaTosovic October 8, 2023 00:06
@JecaTosovic JecaTosovic closed this pull request by merging all changes into main in 3b633fd Oct 16, 2023
@DomFijan DomFijan deleted the update_visualisation branch May 11, 2024 03:32
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@JecaTosovic JecaTosovic Awaiting requested review from JecaTosovic

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FileNotFoundError: [WinError 2] The system cannot find the file specified: 'hoh.cif'
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@DomFijan @JecaTosovic