Alejandro Martínez-León ale94mleon

## view_diff.ipynb

      
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                iwatobipen
                / view_diff.ipynb
            
            
              Created
              August 8, 2021 13:27
            
          
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## dihedral_angle_from_coordinates.py
""" Dihedral angles from coordinates. Get dihedral angles from
    protein backbone coordinates.
    This script takes 4 vectors representing 4 points as input
    and returns the dihedral angle between them.

    The script was originally developed to calculate dihedral angles (phi,psi)
    from protein backbone atoms' coordinates in 3D (N-term, C-alhpa, Cterm).
"""

import numpy as np

## snakemake-pure-python.py
#!/usr/bin/env python3
"""
Running this script is (intended to be) equivalent to running the following Snakefile:

include: "pipeline.conf"  # Should be an empty file

shell.prefix("set -euo pipefail;")

rule all:
    input:

## Mac SSH Autocomplete
_complete_ssh_hosts ()
{
        COMPREPLY=()
        cur="${COMP_WORDS[COMP_CWORD]}"
        comp_ssh_hosts=`cat ~/.ssh/known_hosts | \
                        cut -f 1 -d ' ' | \
                        sed -e s/,.*//g | \
                        grep -v ^# | \
                        uniq | \
                        grep -v "\[" ;
	""" Dihedral angles from coordinates. Get dihedral angles from
	protein backbone coordinates.
	This script takes 4 vectors representing 4 points as input
	and returns the dihedral angle between them.

	The script was originally developed to calculate dihedral angles (phi,psi)
	from protein backbone atoms' coordinates in 3D (N-term, C-alhpa, Cterm).
	"""

	import numpy as np
	#!/usr/bin/env python3
	"""
	Running this script is (intended to be) equivalent to running the following Snakefile:

	include: "pipeline.conf" # Should be an empty file

	shell.prefix("set -euo pipefail;")

	rule all:
	input:
	_complete_ssh_hosts ()
	{
	COMPREPLY=()
	cur="${COMP_WORDS[COMP_CWORD]}"
	comp_ssh_hosts=`cat ~/.ssh/known_hosts \| \
	cut -f 1 -d ' ' \| \
	sed -e s/,.*//g \| \
	grep -v ^# \| \
	uniq \| \
	grep -v "\[" ;