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jmborr
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idpflex
Analysis of intrinsically disordered proteins by comparing MD simulations to Small Angle Scattering experiments
http://idpflex.readthedocs.io/en/latest/
MIT License
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Add a property to calculate end-to-end distance
#62
jmborr
closed
6 years ago
0
Add a property to calculate asphericity
#61
jmborr
closed
6 years ago
0
Add a property to calculate solvent accessible surface area
#60
jmborr
closed
6 years ago
0
Add a property to calculate end-to-end distance
#59
jmborr
closed
6 years ago
0
Update tutorial notebook to calculate and plot radius of gyration
#58
jmborr
closed
6 years ago
0
Update tutorial notebook to calculate and plot radius of gyration
#57
jmborr
closed
6 years ago
0
plot histogram for ScalarProperty
#56
jmborr
closed
6 years ago
0
plot histogram for ScalarProperty
#55
jmborr
closed
6 years ago
0
Add Radius of Gyration property
#54
jmborr
closed
6 years ago
0
Add Radius of Gyration property
#53
jmborr
closed
6 years ago
0
modify docs to instruct how to download the data repository
#52
jmborr
closed
6 years ago
0
modify docs to instruct how to download the data repository
#51
jmborr
closed
6 years ago
0
Small changes to master
#50
jmborr
opened
6 years ago
0
property for a residue contact map
#49
jmborr
closed
6 years ago
0
Analysis on the fit for the hiAPP_clustering notebook
#48
jmborr
closed
6 years ago
0
New release
#47
jmborr
opened
6 years ago
0
Analysis on the fit for the hiAPP_clustering notebook
#46
jmborr
closed
6 years ago
0
Jupyter notebook showing a example
#45
jmborr
closed
6 years ago
0
Jupyter notebook showing a example
#44
jmborr
closed
6 years ago
0
Save the hierarchical tree with pickle
#43
jmborr
closed
6 years ago
0
Add a Gitter chat badge to README.rst
#42
gitter-badger
closed
6 years ago
0
plot secondary structure for a node
#41
jmborr
closed
6 years ago
0
Property for secondary structure
#40
jmborr
closed
6 years ago
0
parallelize calls to an external executable
#39
jmborr
opened
6 years ago
0
Save the hierarchical tree with pickle
#38
jmborr
closed
6 years ago
0
property for a residue contact map
#37
jmborr
closed
6 years ago
0
add a property for the hydrogen bond occupancy
#36
jmborr
opened
6 years ago
0
add a plot method to the ProfileProperty
#35
jmborr
opened
6 years ago
0
Property for secondary structure
#34
jmborr
closed
6 years ago
0
add an integration test that later should work as a tutorial
#33
jmborr
opened
6 years ago
0
Release Milestone 1.1
#32
jmborr
closed
6 years ago
0
Release Milestone 1.1
#31
jmborr
closed
6 years ago
0
Parallelize calculation of RMSD matrix
#30
jmborr
closed
6 years ago
0
Parallelize calculation of RMSD matrix
#29
jmborr
closed
6 years ago
0
Fix some minor stuff when releasing to pypi and create tag
#28
jmborr
closed
6 years ago
0
Enable travis to publish to pypi
#27
jmborr
closed
6 years ago
1
Readthedocs does not publish the documentation correctly
#26
jmborr
closed
6 years ago
1
cleanup temporary file in test
#25
jmborr
closed
6 years ago
1
cleanup temporary file in test
#24
jmborr
closed
6 years ago
0
Readthedocs does not publish the documentation correctly
#23
jmborr
closed
6 years ago
0
Enable travis to publish to pypi
#22
jmborr
closed
6 years ago
0
Create v0.1.0.0 tag
#21
jmborr
closed
6 years ago
0
Update documentation
#20
jmborr
closed
6 years ago
1
Update documentation
#19
jmborr
closed
6 years ago
0
Enforce positive amplitude for TabulatedFunctionModel
#18
jmborr
closed
6 years ago
1
Enforce positive amplitude for TabulatedFunctionModel
#17
jmborr
closed
6 years ago
0
rmsd does not superimpose
#16
jmborr
closed
6 years ago
1
rmsd does not superimpose
#15
jmborr
closed
6 years ago
0
Add weights to fit call
#14
jmborr
closed
6 years ago
0
Add weights to fit call
#13
jmborr
closed
6 years ago
0
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