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###################################################################### | |
### Center multi-unit protein in pbc box with VMD | |
### Make sure you are in first frame of MD | |
###################################################################### | |
# Join separate units for this first frame only | |
pbc join connected -now | |
pbc join residue -now | |
# Join the protein for all MD |
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""" | |
Experimental wrapper to use Chimera's Python directly from console. | |
You can `import chimera` with no errors! | |
Usage | |
===== | |
1. Alias your /path/to/chimera/bin/python binary to something more user-friendly, like `chimerapy`. | |
2. Download these two files and put them together | |
3. Run `chimerapy -i chimera_cli.py`. (Tip: Realias `chimerapy` to this command). |
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# Autocompletions for conda commands | |
# Place this file in ~./config/fish/completions/ | |
# Original implementations, but slow | |
# function __fish_conda_commands | |
# command conda help | awk '/^ \S/ {print $1}' | |
# end | |
# function __fish_conda_envs | |
# command conda env list | awk 'NR > 2 {print $1}' | |
# end |
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#!/usr/bin/env python | |
import os | |
from shutil import copy | |
from pprint import pprint | |
path = os.path.expanduser("~/.chimera/preferences") | |
copy(path, path + ".bak") # just in case | |
with open(path) as f: | |
data = f.read() |
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#!/usr/bin/env python | |
# -*- coding: utf-8 -*- | |
from __future__ import print_function | |
import pychimera | |
import os | |
# os.environ['CHIMERADIR'] = '/path/to/headless/chimera' | |
pychimera.patch_environ() | |
pychimera.enable_chimera() |
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#!/usr/bin/env python | |
# encoding: utf-8 | |
# get used to importing this in your Py27 projects! | |
from __future__ import print_function, division | |
import chimera.extension | |
""" | |
This is the file that Chimera searches for to load new extensions | |
at runtime. Normally, you will only need to edit: |
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