Skip to content
GitLab
Explore
Sign in
Primary navigation
Search or go to…
Project
O
openstructure
Manage
Activity
Members
Code
Repository
Branches
Commits
Tags
Repository graph
Compare revisions
Deploy
Releases
Container registry
Model registry
Analyze
Contributor analytics
Repository analytics
Model experiments
Help
Help
Support
GitLab documentation
Compare GitLab plans
Community forum
Contribute to GitLab
Provide feedback
Keyboard shortcuts
?
Snippets
Groups
Projects
Show more breadcrumbs
schwede
openstructure
Commits
6a1076e9
Verified
Commit
6a1076e9
authored
2 years ago
by
Xavier Robin
Browse files
Options
Downloads
Patches
Plain Diff
doc: SCHWED-5783 note about symmetry assignment for RMSD
parent
ff84e84c
Branches
Branches containing commit
Tags
Tags containing commit
No related merge requests found
Changes
1
Hide whitespace changes
Inline
Side-by-side
Showing
1 changed file
modules/mol/alg/pymod/ligand_scoring.py
+3
-1
3 additions, 1 deletion
modules/mol/alg/pymod/ligand_scoring.py
with
3 additions
and
1 deletion
modules/mol/alg/pymod/ligand_scoring.py
+
3
−
1
View file @
6a1076e9
...
@@ -756,7 +756,9 @@ class LigandScorer:
...
@@ -756,7 +756,9 @@ class LigandScorer:
* `lddt_pli`: the lDDT-PLI score value.
* `lddt_pli`: the lDDT-PLI score value.
* `rmsd`: the RMSD score value corresponding to the lDDT-PLI
* `rmsd`: the RMSD score value corresponding to the lDDT-PLI
assignment. This may differ from the RMSD-based assignment.
chain mapping and assignment. This may differ from the RMSD-based
assignment. Note that a different isomorphism than `lddt_pli` may
be used.
* `lddt_bs`: the lDDT-BS score of the binding site.
* `lddt_bs`: the lDDT-BS score of the binding site.
* `lddt_pli_n_contacts`: number of total contacts used in lDDT-PLI,
* `lddt_pli_n_contacts`: number of total contacts used in lDDT-PLI,
summed over all thresholds. Can be divided by 8 to obtain the number
summed over all thresholds. Can be divided by 8 to obtain the number
...
...
This diff is collapsed.
Click to expand it.
Preview
0%
Loading
Try again
or
attach a new file
.
Cancel
You are about to add
0
people
to the discussion. Proceed with caution.
Finish editing this message first!
Save comment
Cancel
Please
register
or
sign in
to comment