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choderalab
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ensembler
Automated omics-scale protein modeling and simulation setup.
http://ensembler.readthedocs.io/
GNU General Public License v2.0
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Removed travis CI config file
#95
mikemhenry
closed
2 years ago
0
How to set the value of sequence identity before running "ensembler build_models" to avoid useless operations?
#94
ABChh26
opened
3 years ago
0
Ensembler does not retain disulfide bond records from original PDB files.
#93
MehtapIsik
opened
7 years ago
0
Uniprot has changed search syntax
#92
steven-albanese
opened
7 years ago
1
Fix travis
#91
jchodera
opened
7 years ago
0
Uniprot doesn't always specify a domain
#90
daveminh
opened
7 years ago
0
Pin msmbuilder version to 3.3.1 until API can be updated
#89
daveminh
opened
7 years ago
1
Fix MD5 issue in Travis.
#88
nhstanley
closed
7 years ago
3
[WIP] Fix tests and python 3.x compatibility
#87
jchodera
closed
7 years ago
1
Update devtools to fix builds
#86
bas-rustenburg
closed
7 years ago
4
Fix travis
#85
jchodera
closed
7 years ago
2
A note on reproducibility - changes in Uniprot IDs
#84
rafwiewiora
opened
8 years ago
3
ensembler cluster appears to not deal ok with re-running on existing directories
#83
rafwiewiora
opened
8 years ago
1
We can add a link to Ensembler on the Modeller website
#82
rafwiewiora
opened
8 years ago
2
Fix PDBFixer dependencies
#81
jchodera
opened
8 years ago
5
Test on py34 and py35
#80
jchodera
closed
7 years ago
0
Update after_success script to fix anaconda cloud push
#79
jchodera
closed
8 years ago
0
[WIP] Debug travis test failures
#78
jchodera
closed
8 years ago
3
Fix broken nosetests
#77
jchodera
opened
8 years ago
0
Turned on nightli.es
#76
jchodera
closed
8 years ago
0
Fix travis
#75
jchodera
closed
8 years ago
0
fix os.symlink call for gather_templates --structure_paths - use abspath
#74
rafwiewiora
opened
8 years ago
8
Bug in symlinks creation at gather_templates
#73
rafwiewiora
opened
8 years ago
0
Add a manual template?
#72
rafwiewiora
opened
8 years ago
3
How to set up Ensembler-mpi-multiple GPUs?
#71
rafwiewiora
opened
8 years ago
13
Proposing improvements to quickmodel command line arguments
#70
rafwiewiora
closed
8 years ago
6
Link to example dataset doesn't work
#69
rafwiewiora
opened
8 years ago
7
conda installation forces OpenMM 6.3 and overrides 7.0beta
#68
rafwiewiora
closed
8 years ago
3
Confusing Error messages
#67
steven-albanese
opened
8 years ago
0
Having trouble with implicit refinement
#66
steven-albanese
closed
8 years ago
4
Rosetta usage specifics added to docs
#65
sonyahanson
closed
8 years ago
4
[FR/ENH] Allow user to limit template crystallographic resolution
#64
msultan
opened
8 years ago
0
Skip template loop modeling for templates not missing any loops
#63
jchodera
opened
8 years ago
0
Issue while downloading sifts files
#62
msultan
closed
8 years ago
12
Strangely modeled loops in templates after loop modeling.
#61
sonyahanson
closed
8 years ago
20
Zinc multivalent ion model incorporation
#60
rafwiewiora
closed
8 years ago
0
'module' object has no attribute 'Ward'
#59
rafwiewiora
closed
8 years ago
9
Add option to specify ionic strength when solvating in explicit solvent
#58
jchodera
opened
8 years ago
0
[WIP] Implemented mktraj CLI function
#57
danielparton
closed
8 years ago
0
MolProbity validation feature addition
#56
danielparton
closed
8 years ago
1
Set PME parameters explicitly when packaging for FAH
#55
jchodera
opened
8 years ago
0
align function: substitution matrix and other parameters now accessib…
#54
danielparton
closed
8 years ago
0
Ensembler usage for missing parts in crystal structure
#53
mihirdate
opened
8 years ago
9
Update FAH packaging
#52
jchodera
closed
8 years ago
2
Use setPMEParameters() to explicitly set PME parameters when packaging for Folding@home
#51
jchodera
closed
8 years ago
2
Note that 'cluster' is not optional
#50
sonyahanson
opened
8 years ago
2
Strangeness with running build_models using mpi
#49
sonyahanson
closed
8 years ago
4
1.0.5 release
#48
danielparton
closed
8 years ago
0
ensembler installation
#47
mihirdate
closed
8 years ago
17
Add computation of MolProbity scores
#46
jchodera
opened
8 years ago
0
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