bougui505

import numpy
import mrcfile

def read_mrc(mrcfilename):
    """
    Read a mrc file and return the xyz and density values at the given level
    if given
    """
    print "Reading mrc file ..."
    xyz = []

bougui505

import numpy
import mrcfile

def save_density(data, grid_spacing, outfilename, origin=None):
    """
    Save the density to an mrc file. The origin of the grid will be (0,0,0)
    • outfilename: the mrc file name for the output
    """
    print "Saving mrc file ..."
    data = data.astype('float32')

bougui505

#!/usr/bin/env sh
# -*- coding: UTF8 -*-

# Author: Guillaume Bouvier -- guillaume.bouvier@pasteur.fr
# https://research.pasteur.fr/en/member/guillaume-bouvier/
# 2019-03-28 10:17:12 (UTC+0100)

fzf_preview () {
    if [ -d $1 ]; then
        ls --color='always' $1

bougui505

#!/usr/bin/env python
# -*- coding: UTF8 -*-

# Author: Guillaume Bouvier -- guillaume.bouvier@pasteur.fr
# https://research.pasteur.fr/en/member/guillaume-bouvier/
# 2018-11-19 16:26:10 (UTC+0100)

import __main__
__main__.pymol_argv = [ 'pymol', '-cqi' ]
import pymol

bougui505

#!/usr/bin/env python
# -*- coding: UTF8 -*-

# Author: Guillaume Bouvier -- guillaume.bouvier@pasteur.fr
# https://research.pasteur.fr/en/member/guillaume-bouvier/
# 2018-11-19 16:26:10 (UTC+0100)

import __main__
__main__.pymol_argv = [ 'pymol', '-cqi' ]
import pymol

bougui505

#!/usr/bin/env zsh
# -*- coding: UTF8 -*-

# Author: Guillaume Bouvier -- guillaume.bouvier@pasteur.fr
# https://research.pasteur.fr/en/member/guillaume-bouvier/
# 2018-09-07 09:08:56 (UTC+0200)

# read a passwdcard to get a password

PASSWDCARD="$HOME/.20180514_passwdcard.txt"

bougui505

#!/usr/bin/env python
# -*- coding: UTF8 -*-

from pymol import cmd
from pymol import stored
import struct

def save2traj (selection,name,format="dcd"):

    #Author: Sean Law

bougui505

#!/usr/bin/env python
# -*- coding: UTF8 -*-

# Author: Guillaume Bouvier -- guillaume.bouvier@pasteur.fr
# https://research.pasteur.fr/en/member/guillaume-bouvier/
# 2018-11-19 16:26:10 (UTC+0100)

import __main__
__main__.pymol_argv = [ 'pymol', '-cqi' ]
import pymol

bougui505

#!/usr/bin/env python3
# -*- coding: UTF8 -*-

# Author: Guillaume Bouvier -- guillaume.bouvier@pasteur.fr
# https://research.pasteur.fr/en/member/guillaume-bouvier/
# 2018-11-19 16:26:10 (UTC+0100)

from pymol import cmd
import sys

bougui505

#!/usr/bin/env python
# -*- coding: UTF8 -*-

# Author: Guillaume Bouvier -- guillaume.bouvier@pasteur.fr
# https://research.pasteur.fr/en/member/guillaume-bouvier/
# 2018-11-19 16:26:10 (UTC+0100)

import __main__
__main__.pymol_argv = [ 'pymol', '-cqi' ]
import pymol