Close Issue #309: account for helix group rotation properly #312
Conversation
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Add this suggestion to a batch that can be applied as a single commit.
This suggestion is invalid because no changes were made to the code.
Suggestions cannot be applied while the pull request is closed.
Suggestions cannot be applied while viewing a subset of changes.
Only one suggestion per line can be applied in a batch.
Add this suggestion to a batch that can be applied as a single commit.
Applying suggestions on deleted lines is not supported.
You must change the existing code in this line in order to create a valid suggestion.
Outdated suggestions cannot be applied.
This suggestion has been applied or marked resolved.
Suggestions cannot be applied from pending reviews.
Suggestions cannot be applied on multi-line comments.
Suggestions cannot be applied while the pull request is queued to merge.
Suggestion cannot be applied right now. Please check back later.
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 groupNow, 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_vectorsRelated Issue
#309
Screenshots:
Note the rolls of the helices as indicated by the slice bar
These are represented in the rolls of the exported helices
