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
db499ed6
Commit
db499ed6
authored
1 month ago
by
Studer Gabriel
Browse files
Options
Downloads
Patches
Plain Diff
Edit README.md
parent
305b0d72
No related branches found
Branches containing commit
No related tags found
Tags containing commit
No related merge requests found
Changes
1
Hide whitespace changes
Inline
Side-by-side
Showing
1 changed file
examples/scoring/README.md
+6
-6
6 additions, 6 deletions
examples/scoring/README.md
with
6 additions
and
6 deletions
examples/scoring/README.md
+
6
−
6
View file @
db499ed6
...
...
@@ -34,9 +34,9 @@ default output (out.json):
ost compare-structures -m model.pdb -r reference.cif.gz --lddt --local-lddt --qs-score
```
An example output can be found
[
here
](
compare-structures_
example
_
out
.json
)
a
nd
we refer to the action documentation for in-depth description of the provided
data items.
Results should be computed within seconds and
example
out
put can be fou
nd
[
here
](
compare-structures_example_out.json
)
. We refer to the action
documentation for in-depth description of the provided
data items.
By default, model-reference chains are aligned using Needleman-Wunsch.
Many benchmarking efforts such as CASP and CAMEO assume residue numbers
...
...
@@ -55,9 +55,9 @@ We can compute LDDT-PLI and BiSyRMSD with:
ost compare-ligand-structures -m model.pdb -r reference.cif.gz -ml *.sdf --rmsd --lddt-pli
```
An example output can be found
[
here
](
compare-ligand-structures_
example
_
out
.json
)
and we refer to the action documentation for in-depth description of the provided
data items.
Results should be computed within seconds and
example
out
put can be found
[
here
](
compare-ligand-structures_example_out.json
)
. We refer to the action
documentation for in-depth description of the provided
data items.
Again, it is advised to use the
`-rna`
flag if applicable. In this example,
reference ligands are directly extracted from the provided mmCIF file based on
...
...
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