choderalab ensembler issues

choderalab / ensembler

Automated omics-scale protein modeling and simulation setup.

http://ensembler.readthedocs.io/

GNU General Public License v2.0

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issues

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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