Comments (4)
It's not possible at the moment to create either a covalent bond nor a contact between atoms from different file.
There is a request made to be able to compute contacts (non-covalent interactions) between different entities, which has implications like docking.
In the meantime, if you want to display such bonds, you may create the corresponding cylinder representations "manually" using the coordinates of the terminal atoms.
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I'm found this code example:
https://codepen.io/arose/pen/VQjBGq
Is this method wrong?
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I was not aware of this concatStructure
method. This is brilliant!
I suppose the issue might come if you want to compare different ligands docked to the same receptor. But as it is, that's very convenient
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Aside: For viewing interactions for docking results (for example) you can set the masterModelIndex parameter so that interactions are only calculated between each model and the 'master' (so if protein is model 0, then each ligand model 1.. you don't get interactions between different ligand poses). https://github.com/nglviewer/ngl/blob/master/examples/scripts/test/concat.js#L14
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Related Issues (20)
- dispose() method leaves part of the old representation when changing model HOT 2
- Incorrect behavior when changing opacity for a separate pocket HOT 3
- Should threejs be changed to a peer dependency? HOT 2
- change color of specific residue HOT 2
- getAtomSetWithinSelection and getAtomSetWithinGroup in several files HOT 4
- info in tooltip HOT 2
- Mass in .pdb files HOT 2
- Focus camera on selection
- Allow more export of components HOT 4
- Why is the effect after superposition not as good as before superposition HOT 1
- Export .pdb file HOT 2
- Question: How to save and restore transformation?
- Funnel like shape
- Multi-touch zoom with multiple NGL instances
- Hiding non-polar hydrogens HOT 1
- MeasureRepresentation between non-atoms HOT 2
- displaying hydrogens as ligands HOT 1
- Select the entire molecule by clicking on its atom HOT 1
- Regressions
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