3d molecules missing beta-sheets structures

dsehnal / LiteMol

A library/plugin for handling 3D structural molecular data (not only) in the browser.

Other

157 stars 38 forks source link

3d molecules missing beta-sheets structures #65

Closed mb925 closed 3 years ago

mb925 commented 3 years ago

Hi!

several PDB molecules are only showing some beta-sheets in the 3D structure, but not all. I know there are more beta-sheets because I saw them in pymol. An example is PDB molecule 4r37B.

Why is that? Can I set some configuration to make Litemol more sensible to secondary structure detection?

Thank you for your help.

Martina

dsehnal commented 3 years ago

Hi,

Yep, 4r37 secondary structure isn't computed very well in LiteMol. However, Mol* https://molstar.org/ does render it correctly (or at least better I guess). Would it be an option for you to switch to that viewer? The usage is quite similar to how LiteMol works.

David

mb925 commented 3 years ago

Thank you, I'll evaluate to switch to Mol* in the future.