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Verified Commit 5d40732a authored by Xavier Robin's avatar Xavier Robin
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doc: small touches

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......@@ -19,10 +19,10 @@ unzip -j example.zip
# Run the examples
The example commands here assume an OpenStructure installation
(compile instructions: https://openstructure.org/docs/install/).
([compile instructions](https://openstructure.org/docs/install/)).
Running the computations in containers provide a considerably easier setup than
compiling OpenStructure from source. Instructions for setup and running
equivalent computations are available for
equivalent computations are available below for
* [Docker](#docker)
* [Singularity](#singularity)
......@@ -45,9 +45,9 @@ default output (out.json):
ost compare-structures -m model.pdb -r reference.cif.gz --lddt --local-lddt --qs-score
```
Results should be computed within seconds and example output can be found
[here](compare-structures_example_out.json). We refer to the action
documentation for in-depth description of the provided data items.
Results should be computed within seconds and saved in the `out.json` file
([see example output](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
......@@ -66,9 +66,10 @@ We can compute LDDT-PLI and BiSyRMSD with:
ost compare-ligand-structures -m model.pdb -r reference.cif.gz -ml *.sdf --rmsd --lddt-pli
```
Results should be computed within seconds and example output 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.
Results should be computed within seconds and saved in the `out.json` file
([See example output ](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
......
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