cealign non-ca fix #1480
Merged
cealign non-ca fix #1480
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
jamesmkrieger
force-pushed
the
cealign_non_ca
branch
from
14637a2
to
6af20d0
Compare
|
@SHZ66, what do you think of applying this in an if condition so it only applies when both inputs only have protein residues? |
|
What would happen if we align two full-atom structures with this modification? Would the resulting atommap only have calpha carbons? If so, I'd say we should let the user explicitly specify CA when they align structures. |
|
No, there’s a step to extend the mapping to the rest of the residue |
|
Ok, in that case |
|
Ok, thanks |
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Outdated suggestions cannot be applied.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.
Without this fix, using CE alignment on all-atom structures is prohibitively slow. Taking only Calpha coords fixes it.