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""" 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 |
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#!/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: |
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_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 "\[" ; |