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
291cb80e
Verified
Commit
291cb80e
authored
1 year ago
by
Xavier Robin
Browse files
Options
Downloads
Patches
Plain Diff
doc: fix small typos
parent
7174087a
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
+2
-2
2 additions, 2 deletions
modules/mol/alg/pymod/ligand_scoring.py
with
2 additions
and
2 deletions
modules/mol/alg/pymod/ligand_scoring.py
+
2
−
2
View file @
291cb80e
...
...
@@ -55,7 +55,7 @@ class LigandScorer:
Note that this global chain mapping currently ignores non polymer entities
such as small ligands, and may result in overly pessimistic scores.
By default
s
, target-model ligand assignments are computed independently
By default, target-model ligand assignments are computed independently
for the RMSD and lDDT-PLI scores. For RMSD, each model ligand is uniquely
assigned to a target ligand, starting from the
"
best
"
possible mapping
(lowest RMSD) and using each target and model ligand in a single
...
...
@@ -78,7 +78,7 @@ class LigandScorer:
scoring. :ref:`Molck <molck>` should be used with extra
care, as many of the options (such as `rm_non_std` or `map_nonstd_res`) can
cause ligands to be removed from the structure. If cleanup with Molck is
needed, ligands should be kept and passed separately. Non-ligand residues
needed, ligands should be kept
aside
and passed separately. Non-ligand residues
should be valid compounds with atom names following the naming conventions
of the component dictionary. Non-standard residues are acceptable, and if
the model contains a standard residue at that position, only atoms with
...
...
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