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msmbuilder
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msmbuilder-legacy
Legacy release of MSMBuilder
http://msmbuilder.org
GNU General Public License v2.0
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problem about ConvertDataToHDF.py command
#410
smileyujun
opened
10 years ago
0
CreateAtomIndices.py doesn't recognize residue name CYM (deprotonated cysteine)
#409
sryckbos
opened
10 years ago
1
I would like to ask, can analyze the ternary complex protein structure which is relatively large with MSMBuilder?
#408
smileyujun
closed
10 years ago
1
[WIP] Dense rev
#407
kyleabeauchamp
closed
10 years ago
2
Force Dense Eigen for small matrices
#406
kyleabeauchamp
closed
10 years ago
5
Water attempt 2
#405
mpharrigan
opened
10 years ago
0
Confusing percentages printed in BuildMSM.py
#404
dvanatta
opened
10 years ago
3
Copyright should be updated to 2014
#403
jimsnyderjr
opened
10 years ago
0
Allow unspecified file extension
#402
mpharrigan
closed
10 years ago
3
Minor additions to gitignore
#401
mpharrigan
closed
10 years ago
1
Feature request: No need to specify trajectory file extension
#400
mpharrigan
closed
10 years ago
1
Feature request: separate alignment and rmsd
#399
gbowman
opened
10 years ago
4
Create `Cluster.py` and all the other .py scripts with notices.
#398
rmcgibbo
closed
10 years ago
7
Sasa
#397
schwancr
closed
10 years ago
4
Scripts broken
#396
kyleabeauchamp
closed
10 years ago
6
CalculateProjectSASA.py fails with -t != 'all'
#395
rmcgibbo
closed
8 years ago
0
Py3
#394
rmcgibbo
closed
10 years ago
0
Windows
#393
mpharrigan
closed
9 years ago
39
ContinuousContact.prepare_trajectory bug
#392
schwancr
opened
10 years ago
1
my fork has diverged from the parent
#391
schwancr
closed
10 years ago
3
Release 2.8.2
#390
rmcgibbo
closed
10 years ago
0
Tutorial fix
#389
rmcgibbo
closed
10 years ago
0
Ala2 tutorial needs to be updated for GetDihedrals.py / PlotDihedrals.py change
#388
rmcgibbo
closed
10 years ago
1
tICA
#387
rmcgibbo
closed
8 years ago
12
CalculateImpliedTimescales: Weird bug on windows
#386
mpharrigan
closed
10 years ago
22
Metastability prediction / a way to judge quality of order parameters
#385
jadeshi
opened
10 years ago
0
Python3
#384
rmcgibbo
closed
10 years ago
5
Fix tutorial for msmbuilder2.8
#383
rmcgibbo
closed
10 years ago
0
new
#382
rmcgibbo
closed
10 years ago
0
Fix tutorial for msmbuilder2.8
#381
rmcgibbo
closed
10 years ago
0
fixes so that make latexpdf works
#380
rmcgibbo
closed
10 years ago
0
2.8.1 bugfix
#379
rmcgibbo
closed
10 years ago
1
update installation docs
#378
rmcgibbo
closed
10 years ago
0
Feature Request: Supporting JSON output
#377
cxhernandez
closed
9 years ago
2
Release 2.8.0
#376
rmcgibbo
closed
10 years ago
6
Remove the remaining c extension modules
#375
rmcgibbo
closed
10 years ago
3
Update install docs
#374
rmcgibbo
closed
10 years ago
1
pyflakes fixes
#373
rmcgibbo
closed
10 years ago
2
Fixed
#372
kyleabeauchamp
closed
10 years ago
0
ImportError: No module named trajectory in mdtraj
#371
cxhernandez
closed
10 years ago
7
Build Issue with -lgomp flag
#370
shosty
closed
10 years ago
7
Divide by zero in tICA
#369
kyleabeauchamp
closed
10 years ago
2
Fix typo in get implied timescales
#368
mpharrigan
closed
10 years ago
0
Use MDTraj instead of LPRMSD in msmb.metrics.Positions
#367
kyleabeauchamp
opened
10 years ago
3
Change `prep_metric` to `metric` in tICA
#366
kyleabeauchamp
closed
10 years ago
3
Fix tICA forcing user to print debug-level messages.
#365
kyleabeauchamp
closed
10 years ago
1
Update website to add citations
#364
rmcgibbo
closed
10 years ago
1
Question: Criteria for selecting an 'appropriate' number of microstates
#363
s-gordon
opened
10 years ago
1
Add citations/abstracts of all papers that use MSMBuilder to website.
#362
rmcgibbo
closed
10 years ago
0
Lagtime check
#361
mpharrigan
closed
10 years ago
2
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