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arose avatar arose commented on May 19, 2024 1

Both option require changes to the core. I added the first option of showing the gaps, see 1f60d88.

To draw the cartoon if the backbone atoms are further apart one would need to change the 3 in

return Vec3.distance(pStart, pEnd) < (isCoarse ? 10 : 3);
to something higher. I you export your structure with only CA the cartoon would likely be drawn as the distance threshold for coarse structures is 10A.

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arose avatar arose commented on May 19, 2024

Hi @brianjimenez, do you have an example file? Mol* tries to find gaps/chains breaks and display them as dashed lines between the stem resodues.

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brianjimenez avatar brianjimenez commented on May 19, 2024

For example the one attached. There is an extreme deformation of the tip of the protein partner and in the peptide too.
top_1.pdb.zip

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arose avatar arose commented on May 19, 2024

We currently don't show the dashed-lines when the residue numbers are consecutive, but we could, see below. Would that be what you want? Third option would be to still draw the cartoon.

image

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arose avatar arose commented on May 19, 2024

Option 3: Draw cartoon if polymer bond is <5A. Might be good to show breaks with dashed-lines instead.

image

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brianjimenez avatar brianjimenez commented on May 19, 2024

Any of the proposed options is amazing and would work. Could you please share a couple of snippets how to accomplish it? Thanks again for your help and quick answers, beautiful piece of software btw.

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