Skip to content
Snippets Groups Projects
Commit 52cdce93 authored by Gerardo Tauriello's avatar Gerardo Tauriello
Browse files

Doc update

parent e4d7406a
No related branches found
No related tags found
No related merge requests found
......@@ -13,8 +13,10 @@ eg.
--remove oxt hyd \\
--map-nonstandard-residues
If desired one can recreate what CAMEO is calculating. CAMEO calls lddt binary
as follows:
Here we describe how the parameters can be set to mimick a CAMEO evaluation
(as of August 2018).
CAMEO calls the lddt binary as follows:
lddt \\
-p <PARAMETER FILE> \\
......
......@@ -109,7 +109,12 @@ Example usage:
$ curl https://www.cameo3d.org/static/data/modeling/2018.03.03/5X7J_B/bu_target_01.pdb > reference.pdb
$ curl https://www.cameo3d.org/static/data/modeling/2018.03.03/5X7J_B/servers/server11/oligo_model-1/superposed_oligo_model-1.pdb > model.pdb
$ $OST_ROOT/bin/ost compare-structures --model model.pdb --reference reference.pdb --output output.json --qs-score --residue-number-alignment --lddt --structural-checks --consistency-checks --inclusion-radius 15.0 --bond-tolerance 15.0 --angle-tolerance 15.0 --molck --remove oxt hyd unk --clean-element-column --map-nonstandard-residues
$ $OST_ROOT/bin/ost compare-structures \
--model model.pdb --reference reference.pdb --output output.json \
--qs-score --residue-number-alignment --lddt --structural-checks \
--consistency-checks --inclusion-radius 15.0 --bond-tolerance 15.0 \
--angle-tolerance 15.0 --molck --remove oxt hyd unk \
--clean-element-column --map-nonstandard-residues
################################################################################
Reading input files (fault_tolerant=False)
......@@ -345,7 +350,7 @@ In the example above the output file looks as follows:
}
}
If only all the structures are clean one can omit all the checking steps and
If all the structures are clean one can omit all the checking steps and
calculate eg. QS-score directly:
.. code:: console
......
0% Loading or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment