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schwede
openstructure
Commits
e243f902
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Commit
e243f902
authored
2 years ago
by
Xavier Robin
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doc: SCHWED-5481 fix Sphinx links
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094c1295
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modules/mol/alg/pymod/ligand_scoring.py
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4 additions, 4 deletions
modules/mol/alg/pymod/ligand_scoring.py
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modules/mol/alg/pymod/ligand_scoring.py
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View file @
e243f902
...
@@ -21,7 +21,7 @@ class LigandScorer:
...
@@ -21,7 +21,7 @@ class LigandScorer:
At the moment, two scores are available:
At the moment, two scores are available:
* lDDT-PLI, that looks at the conservation of protein-ligand contacts
* lDDT-PLI, that looks at the conservation of protein-ligand contacts
with :
func
:`lDDT <ost.mol.alg.
LocalDistDiffTest
>`.
with :
class
:`lDDT <ost.mol.alg.
lddt.lDDTScorer
>`.
* Binding-site superposed, symmetry-corrected RMSD that assesses the
* Binding-site superposed, symmetry-corrected RMSD that assesses the
accuracy of the ligand pose.
accuracy of the ligand pose.
...
@@ -30,11 +30,11 @@ class LigandScorer:
...
@@ -30,11 +30,11 @@ class LigandScorer:
of model and target ligands, as described in (Manuscript in preparation).
of model and target ligands, as described in (Manuscript in preparation).
Results are available as matrices (`(lddt_pli|rmsd)_matrix`), where every
Results are available as matrices (`(lddt_pli|rmsd)_matrix`), where every
target-model score is reported in a matrix
, or
as `(lddt_pli|rmsd)` where
target-model score is reported in a matrix
;
as `(lddt_pli|rmsd)` where
a model-target assignment has been determined, starting from the
"
best
"
a model-target assignment has been determined, starting from the
"
best
"
possible mapping and using each target and model ligand in a single
possible mapping and using each target and model ligand in a single
assignment, and the results are reported in a dictionary
. In addition,
assignment, and the results are reported in a dictionary
; and as
(`(lddt_pli|rmsd)_details`) methods
are available with
additional details
(`(lddt_pli|rmsd)_details`) methods
, which report
additional details
about different aspects of the scoring such as chain mapping.
about different aspects of the scoring such as chain mapping.
The class generally assumes that the
The class generally assumes that the
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