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@yukimya
yukimya / lProam.py
Last active August 29, 2015 14:01
Library of Protein analysis module for me!!
# GPL v 3.0
# python library name: library of Protein analysis module(lProam)
# lProam.py
# written by Naoyuki Miyashita on 12/18/2013
# Naoyuki Miyashita (c) 2013
#
#-----------------------------------
# please install
# prody, pylab(matplotlib), numpy and scipy,
# before you use this scripts.
# GPL v 3.0
# script name: calcDistanceDCD.py
# written by Naoyuki Miyashita on 12/18/2013
# Naoyuki Miyashita (c) 2013
#
#-----------------------------------
# Use lProam, pylab, numpy
#-----------------------------------
# ussage:
#
# GPL v 3.0
# script name: showPDF1d.py
# written by Naoyuki Miyashita on 12/18/2013
# Naoyuki Miyashita (c) 2013
#
#-----------------------------------
# Use lProam, pylab, numpy
#-----------------------------------
# ussage:
# python showPDF1d.py \
# DSSP_SECONCARY.PY
# Trajectories of Secondary Structure by DSSP
#-------------------------------------------------------------------------------
# This source code is part of PROSTAC
#
# Written by Naoyuki Miyashita
# Copyright (c) 2013, Naoyuki Miyashita, Japan
#
# This program is free software; you can redistribute it and/or
# modify it under the terms of the GNU General Public License
@yukimya
yukimya / picup_alpha_helix.sh
Last active August 29, 2015 14:01
for dssp_secondary.py
#!/bin/sh
#sed -e 's/[^3 ^4 ^5]/0/g' -e 's/[3 4 5]/1/g' $1 $1.helicity # for helicity
#sed -e 's/[^4 ]/0/g' -e 's/[4]/1/g' $1 # > $1.ahelix # for alpha-helix
i=1
max=1
file_head="../data/out.condition."
file_ext=".out"
new_ext=".ahelix"
while [ $i -le $max ]
@yukimya
yukimya / meanFromDist.py
Created May 29, 2014 14:57
The calculation of mean value from probability
# python script: averagin.py
# written by Naoyuki Miyashita
import subprocess
import numpy as np
import numpy.linalg
import string,os,sys,shutil,random
def readfile(filename):
f=open(filename,"r")
# GPL v 3.0
# script name: getSegment.py
# written by Naoyuki Miyashita on 1/06/2014
# Naoyuki Miyashita (c) 2014
#
#-----------------------------------
# Use lProam, pylab, numpy
#-----------------------------------
# ussage:
# setupTMDimerPosition.py input.pdb output.pdb distance \
# GPL v 3.0
# script name: maxmin.py
# written by Naoyuki Miyashita on 12/20/2013
# Naoyuki Miyashita (c) 2013
#
#-----------------------------------
# Use lProam, pylab, numpy
#-----------------------------------
# ussage:
# python maxmin.py filename.pdb ¨selection¨
@yukimya
yukimya / mkMu_00mkMutation.sh
Last active August 29, 2015 14:04
make mutation for charm/namd by namd and vmd
#!/bin/sh
# GPL v.3
# Program mkMu: mkMutation.sh
# Naoyuki Miyashita 7/22/2014
#
#
# Input
outfile="00_mutation1.inp"
@yukimya
yukimya / mkMu_01mkVacPSF.sh
Created July 22, 2014 04:54
make Mutant structure
#!/bin/sh
# GPL v. 3
# Program mkMu: 01mkVacPSF.sh
#
# This program uses: lProam.py, getSegment.py
#
# written by Naoyuki Miyashita 7/22/2014
# Input