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Close Issue #309: account for helix group rotation properly#312

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dave-doty merged 2 commits intodevfrom
309-account-for-helix-group-rotation-properly
Oct 21, 2024
Merged

Close Issue #309: account for helix group rotation properly#312
dave-doty merged 2 commits intodevfrom
309-account-for-helix-group-rotation-properly

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@DanielHader
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Description

closes issue #309

Before this change, helix group rotation wasn't correctly applied to helices during oxDNA export
This change fixes this by applying the helix group rotation to each helix before being translated by the helix group's origin position

This change also avoids using the Design.roll_of_helix(helix) since this gives the cumulative roll of the helix plus the roll of the group
Now, the helix group's roll is applied to the helix to determine it's global positions while the helix's individual roll is accounted for by separately rotating the normal axis returned by _oxdna_get_helix_vectors

Related Issue

#309

Screenshots:

Note the rolls of the helices as indicated by the slice bar
image
image

These are represented in the rolls of the exported helices
image
image

@dave-doty dave-doty merged commit 2f12f99 into dev Oct 21, 2024
@dave-doty dave-doty deleted the 309-account-for-helix-group-rotation-properly branch October 21, 2024 20:45
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2 participants