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Can litemol visualize the Torsional Angles in the tertiary structure of a protein? #59

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Inspriatio opened this issue Feb 9, 2020 · 8 comments

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@Inspriatio
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Now,I have dihedral angle data for a protein. Can litemol visualize it?

@dsehnal
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dsehnal commented Feb 9, 2020

It would be possible to write a custom visual for it. However, we already have some code to show dihedrals in Mol* (https://molstar.org) so it should not be too difficult to adapt it to show “custom” data. Would it be feasible for you to use that?

@Inspriatio
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It would be possible to write a custom visual for it. However, we already have some code to show dihedrals in Mol* (https://molstar.org) so it should not be too difficult to adapt it to show “custom” data. Would it be feasible for you to use that?

Thank you very much for your answer, I don't know if Mol * can be run on the web side, there is no running instance on its GitHub. Can't litemol realize dihedral angle visualization?

@dsehnal
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dsehnal commented Feb 16, 2020

Mol* can be run on any website same as LiteMol. The usege is very similar to that of LiteMol (it's a continuation of LiteMol and NGL projects). This is the angle visualization from it:

image

In LiteMol, the code would have to written extra.

@Inspriatio
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Thank you very much for your patience. Could Mol * have any examples running on the web (like the example folder in the litemol project)?

@Inspriatio
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Mol* can be run on any website same as LiteMol. The usege is very similar to that of LiteMol (it's a continuation of LiteMol and NGL projects). This is the angle visualization from it:

image

In LiteMol, the code would have to written extra.
Maybe I made a mistake in expression, is it possible to implement this code in my own project when implementing this dihedral angle visualization?

@Inspriatio
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Excuse me, how is the custom visualization dihedral angle in mol * calculated, such as the angle between N-Cα and Cα-C, I calculated it with the help of mathematical surface angle. The results visualized above are not the same as mol *. Thank you in advance.

@dsehnal
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dsehnal commented Feb 29, 2020

It's not the same because I did not select N-Ca/Ca-C, but some "random" 4 atoms. I just wanted to show the visuals for the dihedral angle itself.

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