Jonathan Barnoud jbarnoud
jbarnoud
/ Test pytng write.ipynb
Created
July 8, 2017 08:28
Test writing with pytng. See https://github.com/MDAnalysis/pytng/pull/18
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
jbarnoud
/ Test TNG write.ipynb
Last active
July 8, 2017 07:48
Try writting a TNG file using the lib tng_io
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
jbarnoud
/ release-0.16.0.ipynb
Last active
April 8, 2017 08:18
— forked from kain88-de/release-0.16.0.ipynb
New MDAnalysis features in release 0.16.0
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
jbarnoud
/ Test PBxplore trajectory.ipynb
Created
March 26, 2017 12:51
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| ************* Module insane | |
| C: 1, 0: Missing module docstring (missing-docstring) | |
| W: 1, 0: Wildcard import core (wildcard-import) | |
| W: 1, 0: Relative import 'core', should be 'insane.core' (relative-import) | |
| ************* Module insane.linalg | |
| C: 4, 0: Trailing whitespace (trailing-whitespace) | |
| C: 4, 0: Exactly one space required after comma | |
| def vvadd(a,b): | |
| ^ (bad-whitespace) | |
| C: 5, 0: Exactly one space required after comma |
jbarnoud
/ gh-pull.bash
Last active
March 16, 2017 17:12
A bash function that allows you to quickly checkout a branch for a pull request on a repo.
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| # Checkout a branch for a pull request | |
| # Inspired from | |
| # https://gist.github.com/captainsafia/954351fc7b05bb748b5d2112624f8a2f | |
| function gh-pull { | |
| if [[ "$#" != 2 ]] | |
| then | |
| echo "Arguments must be <remote> <PR-ID>." | |
| return 1 | |
| fi | |
| remote=$1 |
jbarnoud
/ Test group operators.ipynb
Created
March 9, 2017 19:31
See https://github.com/MDAnalysis/mdanalysis/pull/1239
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
jbarnoud
/ persistence-length-calculator.py
Created
January 26, 2017 12:27
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| #!/usr/bin/python | |
| import mdreader | |
| import numpy as np | |
| from scipy.optimize import curve_fit | |
| import matplotlib as mpl | |
| mpl.use('Agg') | |
| import matplotlib.pyplot as plt | |
| from matplotlib.ticker import MultipleLocator, FormatStrFormatter | |
jbarnoud
/ RMSD error.ipynb
Created
January 20, 2017 12:01
RMSD does not make molecule whole. Here is a demo of the problem that causes.
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.