dwhswenson contact_map issues

dwhswenson / contact_map

Contact map analysis for biomolecules; based on MDTraj

GNU Lesser General Public License v2.1

40 stars 17 forks source link

issues

Newest

Newest Most commented Recently updated Oldest Least commented Least recently updated

Update Python versions in CI

#135 dwhswenson opened 1 month ago
1
Error while saving DaskContactFrequency & DaskContactTrajectory instances to pkl file

#134 varun-go opened 3 months ago
2
tests: `setup`,`teardown` -> `setup_method`, etc

#133 dwhswenson closed 7 months ago
3
Regenerate webhook for read the docs

#132 sroet opened 7 months ago
2
The calculated results are inconsistent with those calculated by amber cpptraj

#131 astomer2 opened 8 months ago
1
Residue_Contacts() generates contacts beyond the cutoff and plot() and most_common() contacts do not match

#130 sam-mahdi opened 1 year ago
0
How to display contacts of atoms within the same residue?

#129 sam-mahdi closed 1 year ago
7
Update RTD config

#128 dwhswenson closed 1 year ago
5
how to extract some special contacts

#127 lslumass closed 1 year ago
3
fix matplotlib 3.6 'Unable to determine Axes to steal space for Colorbar

#126 sroet closed 1 year ago
3
How to calculate the CA distance between two residues？

#125 FYY99117 closed 2 years ago
2
use new way of checking for no warnings

#124 sroet closed 7 months ago
2
swap from codecov bash uploader to their github action

#122 sroet closed 2 years ago
1
also drop appveyor badge

#121 sroet closed 3 years ago
1
CI Cleanup: Windows builds on GitHub Actions; drop Python 3.6; better requirements handling

#120 dwhswenson closed 3 years ago
4
Discussion: Moving off of AppVeyor

#119 dwhswenson closed 3 years ago
5
Actually test for the Userwarning on custom cmaps

#118 sroet closed 3 years ago
1
Remove genindex from docs

#117 dwhswenson closed 3 years ago
2
define forgotten ne

#116 sroet closed 3 years ago
2
[WIP]: cythonisation

#115 sroet opened 3 years ago
1
Update GA badge

#114 sroet closed 3 years ago
1
Renaming `master` branch to `main`

#113 dwhswenson opened 3 years ago
2
[Security] invalidate all CI secrets

#112 sroet closed 3 years ago
1
Fix lines missing from test coverage

#111 dwhswenson closed 3 years ago
2
Automatically detect diverging color maps

#110 dwhswenson closed 3 years ago
5
DOCS: Add matplotlib tips to custom_plotting

#109 dwhswenson closed 3 years ago
1
Changing colorbar font size

#108 ghost closed 3 years ago
2
update GA

#107 sroet closed 3 years ago
2
New example notebooks

#106 dwhswenson closed 3 years ago
5
How are "contacts" defined?

#105 victorprincipe closed 3 years ago
4
Switch to GitHub Actions and CodeCov

#104 dwhswenson closed 3 years ago
9
What to do with the new travis.com plan?

#103 sroet closed 3 years ago
4
Smarter loading for Dask based implementations

#102 sroet opened 3 years ago
0
DaskContactTrajectory

#101 sroet closed 3 years ago
20
Update Travis badge to .com instead of .org

#100 sroet closed 3 years ago
0
Move from travis.org -> travis.com/github actions

#99 sroet closed 3 years ago
4
Bump 0.7.1.dev0

#98 dwhswenson closed 3 years ago
1
Fix spaces in links

#97 sroet closed 3 years ago
1
Release 0.7

#96 dwhswenson closed 3 years ago
2
Future proof ParameterFixer

#95 sroet closed 3 years ago
2
[non-public API-break] Autozoom plots

#94 sroet closed 3 years ago
14
Add binder links

#93 sroet closed 3 years ago
7
Enable binder

#92 sroet closed 3 years ago
12
API cleanup: private `ContactObject._contact_map`; remove `frames` from `ContactFrequency`

#91 dwhswenson closed 3 years ago
0
ContactCount.to_networkx

#90 dwhswenson closed 3 years ago
2
"Autozoom" plotting

#89 dwhswenson closed 3 years ago
8
Remove `ContactMap` (allowing rename `ContactFrequency` => `ContactMap`)

#88 dwhswenson closed 3 years ago
2
IndexManagers for atom slicing

#87 dwhswenson closed 4 years ago
2
Bump version to 0.6.1.dev0

#86 dwhswenson closed 4 years ago
1