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NGLView cannot show structure with waters #402

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cuzzo87 opened this issue Jul 21, 2017 · 2 comments
Closed

NGLView cannot show structure with waters #402

cuzzo87 opened this issue Jul 21, 2017 · 2 comments

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@cuzzo87
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cuzzo87 commented Jul 21, 2017

I was using NGLview to visualize the system with the Molecule.view():

  • protein as NewCartoon
  • ligand as Licorice

The system contains also waters and if I did not remove them before calling the 'view' function I cannot see anything

**1) without removing waters **

m =Molecule('structure.pdb')
m.center()
m.reps.add('protein', 'NewCartoon' )
m.reps.add('resname MOL', 'Licorice')
config(viewer='ngl')
m.view()

fig_waters

2) removing the waters

m =Molecule('structure.pdb')
m.remove('waters')
m.center()
m.reps.add('protein', 'NewCartoon' )
m.reps.add('resname MOL', 'Licorice')
config(viewer='ngl')
m.view()

fig_no_waters

@stefdoerr
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stefdoerr commented Jul 21, 2017 via email

@stefdoerr
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nglviewer/nglview#633

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