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build-2.6
stage
lib64
python3.6
site-packages
ost
io
repository.py
Go to the documentation of this file.
1
import
os.path
2
import
string
3
import
os
4
5
from
ost
import
io
6
7
class
ModelRepository
:
8
"""
9
Model repository. A model repository abstracts the way that PDB files are
10
loaded. Instead of explicitly specifying the PDB filename, only the PDB
11
id (and optionally a chain) needs to be specified. The actual files are then
12
resolved by the repository.
13
14
Usage
15
-----
16
The usage pattern of the model repository is simple. After construction,
17
models may be loaded by passing in a model id and optionally a number of
18
chain names (see documentation for io.LoadPDB).
19
20
Example:
21
import string
22
repos=repository.ModelRepository('path_to_pdbs',
23
file_pattern='pdb%(id)s.ent.gz',
24
transform=string.lower)
25
# load 1ake (note that the name is transformed by string.lower)
26
m=repos.Load('1AKE')
27
"""
28
def
__init__
(self, directory=None,
29
file_pattern=
'%(id)s.pdb'
,transform=str):
30
"""
31
Construct new model repository
32
"""
33
if
directory==
None
:
34
self.
directory_
=os.getenv(
'PDB_PATH'
,
''
)
35
else
:
36
self.
directory_
=directory;
37
self.
file_pattern_
=file_pattern
38
self.
transform_
=transform
or
string.__init__
39
def
FilenameForModel
(self, pdb_id, chain):
40
pdb_id=self.
transform_
(pdb_id)
41
basename=self.
file_pattern_
% {
'id'
: pdb_id,
'chain'
:chain,
'dir'
: pdb_id[1:3]}
42
return
os.path.join(self.
directory_
, basename)
43
44
def
Load
(self, pdb_id, chains='', calpha_only=False, fault_tolerant=False):
45
return
io.LoadPDB(self.
FilenameForModel
(pdb_id, chains),
46
chains, calpha_only=calpha_only,
47
fault_tolerant=fault_tolerant)
48
49
def
LoadMulti
(self, pdb_id, chains=""):
50
return
io.LoadMultiPDB(self.
FilenameForModel
(pdb_id, chains))
51
ost::io.repository.ModelRepository.transform_
transform_
Definition:
repository.py:38
ost::io.repository.ModelRepository.LoadMulti
def LoadMulti
Definition:
repository.py:49
ost::io.repository.ModelRepository
Definition:
repository.py:7
ost::io.repository.ModelRepository.FilenameForModel
def FilenameForModel
Definition:
repository.py:39
ost::io.repository.ModelRepository.file_pattern_
file_pattern_
Definition:
repository.py:37
ost::io.repository.ModelRepository.directory_
directory_
Definition:
repository.py:34
ost::io.repository.ModelRepository.Load
def Load
Definition:
repository.py:44
ost::io.repository.ModelRepository.__init__
def __init__
Definition:
repository.py:29
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