-
Notifications
You must be signed in to change notification settings - Fork 11
Commit
This commit does not belong to any branch on this repository, and may belong to a fork outside of the repository.
- Loading branch information
Showing
18 changed files
with
113 additions
and
6 deletions.
There are no files selected for viewing
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Original file line number | Diff line number | Diff line change |
---|---|---|
|
@@ -11,6 +11,12 @@ | |
|
||
__release__ = __version__ | ||
|
||
__author__ = "Luca Ponzoni" | ||
__date__ = "December 2019" | ||
__maintainer__ = "Luca Ponzoni" | ||
__email__ = "[email protected]" | ||
__status__ = "Production" | ||
|
||
__all__ = [] | ||
|
||
from . import utils | ||
|
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Original file line number | Diff line number | Diff line change |
---|---|---|
|
@@ -5,6 +5,12 @@ | |
import numpy as np | ||
from Bio.SubsMat.MatrixInfo import blosum62 | ||
|
||
__author__ = "Luca Ponzoni" | ||
__date__ = "December 2019" | ||
__maintainer__ = "Luca Ponzoni" | ||
__email__ = "[email protected]" | ||
__status__ = "Production" | ||
|
||
__all__ = ['BLOSUM_FEATS', 'calcBLOSUMfeatures'] | ||
|
||
BLOSUM_FEATS = ['BLOSUM'] | ||
|
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Original file line number | Diff line number | Diff line change |
---|---|---|
|
@@ -7,12 +7,11 @@ | |
from os.path import splitext, join, basename | ||
from prody import SETTINGS, LOGGER | ||
|
||
# extract precomputed EVmutation scores for given mutants | ||
# NB: | ||
# negative DeltaE_epist --> deleterious effect | ||
# DeltaE_epist == 0 --> neutral effect (wild-type) | ||
# positive DeltaE_epist --> neutral/benign effect | ||
|
||
__author__ = "Luca Ponzoni" | ||
__date__ = "December 2019" | ||
__maintainer__ = "Luca Ponzoni" | ||
__email__ = "[email protected]" | ||
__status__ = "Production" | ||
|
||
__all__ = ['EVMUT_FEATS', 'recoverEVmutFeatures'] | ||
|
||
|
@@ -35,6 +34,12 @@ def recoverEVmutFeatures(SAVs): | |
LOGGER.timeit('_EVmut') | ||
LOGGER.info('Recovering EVmutation data...') | ||
|
||
# extracts precomputed EVmutation scores for given mutants | ||
# NB: | ||
# negative DeltaE_epist --> deleterious effect | ||
# DeltaE_epist == 0 --> neutral effect (wild-type) | ||
# positive DeltaE_epist --> neutral/benign effect | ||
|
||
def find_matching_files(file_list, acc, pos): | ||
match_files = [] | ||
for fname in [f for f in file_list if f.startswith(acc)]: | ||
|
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Original file line number | Diff line number | Diff line change |
---|---|---|
|
@@ -15,6 +15,11 @@ | |
from prody import reduceModel, sliceModel | ||
from prody import execDSSP, parseDSSP | ||
|
||
__author__ = "Luca Ponzoni" | ||
__date__ = "December 2019" | ||
__maintainer__ = "Luca Ponzoni" | ||
__email__ = "[email protected]" | ||
__status__ = "Production" | ||
|
||
__all__ = ['STR_FEATS', 'DYN_FEATS', 'PDB_FEATS', | ||
'PDBfeatures', 'calcPDBfeatures'] | ||
|
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Original file line number | Diff line number | Diff line change |
---|---|---|
|
@@ -9,6 +9,12 @@ | |
from prody import LOGGER | ||
from .Uniprot import UniprotMapping | ||
|
||
__author__ = "Luca Ponzoni" | ||
__date__ = "December 2019" | ||
__maintainer__ = "Luca Ponzoni" | ||
__email__ = "[email protected]" | ||
__status__ = "Production" | ||
|
||
__all__ = ['PFAM_FEATS', 'calcPfamFeatures'] | ||
|
||
PFAM_FEATS = ['entropy', 'ranked_MI'] | ||
|
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Original file line number | Diff line number | Diff line change |
---|---|---|
|
@@ -13,6 +13,12 @@ | |
from requests.packages.urllib3.util.retry import Retry | ||
from math import log | ||
|
||
__author__ = "Luca Ponzoni" | ||
__date__ = "December 2019" | ||
__maintainer__ = "Luca Ponzoni" | ||
__email__ = "[email protected]" | ||
__status__ = "Production" | ||
|
||
__all__ = ['PP2_FEATS', 'queryPolyPhen2', 'parsePolyPhen2output', | ||
'getSAVcoords', 'calcPolyPhen2features'] | ||
|
||
|
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Original file line number | Diff line number | Diff line change |
---|---|---|
|
@@ -14,6 +14,12 @@ | |
from Bio.pairwise2 import format_alignment | ||
from Bio.SubsMat import MatrixInfo as matlist | ||
|
||
__author__ = "Luca Ponzoni" | ||
__date__ = "December 2019" | ||
__maintainer__ = "Luca Ponzoni" | ||
__email__ = "[email protected]" | ||
__status__ = "Production" | ||
|
||
__all__ = ['UniprotMapping', 'mapSAVs2PDB', 'seqScanning', 'printSAVlist'] | ||
|
||
|
||
|
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Original file line number | Diff line number | Diff line change |
---|---|---|
|
@@ -4,6 +4,12 @@ | |
EVmutation precomputed data. | ||
""" | ||
|
||
__author__ = "Luca Ponzoni" | ||
__date__ = "December 2019" | ||
__maintainer__ = "Luca Ponzoni" | ||
__email__ = "[email protected]" | ||
__status__ = "Production" | ||
|
||
__all__ = ['RHAPSODY_FEATS'] | ||
|
||
from . import Uniprot | ||
|
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Original file line number | Diff line number | Diff line change |
---|---|---|
|
@@ -5,6 +5,12 @@ | |
|
||
__all__ = [] | ||
|
||
__author__ = "Luca Ponzoni" | ||
__date__ = "December 2019" | ||
__maintainer__ = "Luca Ponzoni" | ||
__email__ = "[email protected]" | ||
__status__ = "Production" | ||
|
||
from . import core | ||
from .core import * | ||
__all__.extend(core.__all__) | ||
|
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Original file line number | Diff line number | Diff line change |
---|---|---|
|
@@ -16,6 +16,11 @@ | |
from .figures import print_pred_distrib_figure, print_path_prob_figure | ||
from .figures import print_ROC_figure, print_feat_imp_figure | ||
|
||
__author__ = "Luca Ponzoni" | ||
__date__ = "December 2019" | ||
__maintainer__ = "Luca Ponzoni" | ||
__email__ = "[email protected]" | ||
__status__ = "Production" | ||
|
||
__all__ = ['calcScoreMetrics', 'calcClassMetrics', 'calcPathogenicityProbs', | ||
'RandomForestCV', 'trainRFclassifier', | ||
|
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Original file line number | Diff line number | Diff line change |
---|---|---|
|
@@ -3,6 +3,12 @@ | |
assess their accuracy. | ||
""" | ||
|
||
__author__ = "Luca Ponzoni" | ||
__date__ = "December 2019" | ||
__maintainer__ = "Luca Ponzoni" | ||
__email__ = "[email protected]" | ||
__status__ = "Production" | ||
|
||
__all__ = [] | ||
|
||
from . import RFtraining | ||
|
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Original file line number | Diff line number | Diff line change |
---|---|---|
|
@@ -6,6 +6,12 @@ | |
import numpy as np | ||
from prody import LOGGER | ||
|
||
__author__ = "Luca Ponzoni" | ||
__date__ = "December 2019" | ||
__maintainer__ = "Luca Ponzoni" | ||
__email__ = "[email protected]" | ||
__status__ = "Production" | ||
|
||
__all__ = ['print_pred_distrib_figure', 'print_path_prob_figure', | ||
'print_ROC_figure', 'print_feat_imp_figure'] | ||
|
||
|
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Original file line number | Diff line number | Diff line change |
---|---|---|
|
@@ -3,6 +3,12 @@ | |
and for accessing installation settings and other parameters. | ||
""" | ||
|
||
__author__ = "Luca Ponzoni" | ||
__date__ = "December 2019" | ||
__maintainer__ = "Luca Ponzoni" | ||
__email__ = "[email protected]" | ||
__status__ = "Production" | ||
|
||
__all__ = [] | ||
|
||
from . import settings | ||
|
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Original file line number | Diff line number | Diff line change |
---|---|---|
|
@@ -12,6 +12,12 @@ | |
import prody as pd | ||
import rhapsody as rd | ||
|
||
__author__ = "Luca Ponzoni" | ||
__date__ = "December 2019" | ||
__maintainer__ = "Luca Ponzoni" | ||
__email__ = "[email protected]" | ||
__status__ = "Production" | ||
|
||
__all__ = ['DEFAULT_FEATSETS', 'initialSetup', | ||
'getDefaultTrainingDataset', 'getDefaultClassifiers', | ||
'importDefaultClassifier', 'delSettings', 'getSettings'] | ||
|
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Original file line number | Diff line number | Diff line change |
---|---|---|
|
@@ -12,6 +12,12 @@ | |
import prody as pd | ||
import rhapsody as rd | ||
|
||
__author__ = "Luca Ponzoni" | ||
__date__ = "December 2019" | ||
__maintainer__ = "Luca Ponzoni" | ||
__email__ = "[email protected]" | ||
__status__ = "Production" | ||
|
||
__all__ = ['DEFAULT_FEATSETS', 'initialSetup', | ||
'getDefaultTrainingDataset', 'getDefaultClassifiers', | ||
'importDefaultClassifier', 'delSettings', 'getSettings'] | ||
|
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Original file line number | Diff line number | Diff line change |
---|---|---|
|
@@ -6,6 +6,12 @@ | |
from os import path | ||
from io import open | ||
|
||
__author__ = "Luca Ponzoni" | ||
__date__ = "December 2019" | ||
__maintainer__ = "Luca Ponzoni" | ||
__email__ = "[email protected]" | ||
__status__ = "Production" | ||
|
||
here = path.abspath(path.dirname(__file__)) | ||
with open(path.join(here, 'VERSION'), encoding='utf-8') as f: | ||
version = f.read() | ||
|
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Original file line number | Diff line number | Diff line change |
---|---|---|
|
@@ -8,6 +8,13 @@ | |
sys.path.append('../../') | ||
import rhapsody as rd | ||
|
||
__author__ = "Luca Ponzoni" | ||
__date__ = "December 2019" | ||
__maintainer__ = "Luca Ponzoni" | ||
__email__ = "[email protected]" | ||
__status__ = "Production" | ||
|
||
|
||
# temporarily switch to new set of folders | ||
if not os.path.isdir('workspace'): | ||
os.mkdir('workspace') | ||
|
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Original file line number | Diff line number | Diff line change |
---|---|---|
|
@@ -7,6 +7,13 @@ | |
sys.path.append('../../') | ||
import rhapsody as rd | ||
|
||
__author__ = "Luca Ponzoni" | ||
__date__ = "December 2019" | ||
__maintainer__ = "Luca Ponzoni" | ||
__email__ = "[email protected]" | ||
__status__ = "Production" | ||
|
||
|
||
# temporarily switch to new set of folders | ||
if not os.path.isdir('workspace'): | ||
os.mkdir('workspace') | ||
|