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schwede
ProMod3
Commits
d26f1d42
Commit
d26f1d42
authored
Nov 22, 2016
by
Gerardo Tauriello
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Doc update for scores (lower better usually, higher better for prof. scores)
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0a51a477
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modelling/doc/loop_candidates.rst
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modelling/doc/loop_candidates.rst
scoring/doc/all_atom_scorers.rst
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scoring/doc/all_atom_scorers.rst
scoring/doc/backbone_scorers.rst
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scoring/doc/backbone_scorers.rst
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modelling/doc/loop_candidates.rst
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@@ -182,6 +182,7 @@ The LoopCandidates class
Calculates and returns a given score for each loop candidate.
See :meth:`~promod3.scoring.BackboneOverallScorer.Calculate` for a
detailed description of the arguments and possible exceptions.
Note that (unless otherwise noted) a lower "score" is better!
:param scorer: Scorer object with set environment for the particular loop
modelling problem.
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@@ -230,6 +231,9 @@ The LoopCandidates class
*structure_db* (see :meth:`ost.seq.ProfileHandle.GetAverageScore` for
details, *prof.null_model* is used for weighting).
Note that for profile scores a higher "score" is better! So take care when
combining this to other scores, where it is commonly the other way around.
This requires that each candidate has a connected fragment info into the
given *structure_db* (e.g. :meth:`FillFromDatabase` must have been called
with this DB).
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scoring/doc/all_atom_scorers.rst
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@@ -85,7 +85,8 @@ AllAtomScorer base class
.. method:: CalculateScore(start_resnum, num_residues, chain_idx=0)
Calculates score for the desired loop (extracted from environment) against
the set environment.
the set environment. Unless otherwise noted in the scorer, a lower "score"
is better!
Note that the structural data of the loop is expected to be in the linked
environment before calling this! This behavior is different from the
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scoring/doc/backbone_scorers.rst
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@@ -35,7 +35,8 @@ BackboneOverallScorer class
.. method:: Calculate(key, bb_list, start_resnum, chain_idx=0)
Calculate score(s) for one or many loop(s).
Calculate score(s) for one or many loop(s) with
:meth:`BackboneScorer.CalculateScore`.
:param key: Key for desired scorer.
:type key: :class:`str`
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@@ -111,7 +112,8 @@ BackboneScorer base class
Calculates score for the given loop internally and against the set
environment. Data in the environment, which overlaps with the given
*bb_list* is ignored.
*bb_list* is ignored. Unless otherwise noted in the scorer, a lower "score"
is better!
:param bb_list: Loop for which to calculate the given score
:type bb_list: :class:`~promod3.loop.BackboneList`
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