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/******************************************************************** | |
integ(1/(x+1))dx [0,1] = 0.6931 // > 0.5 | |
integration method by Monte calro | |
Probability (0 to 1) * Area (Maximum value) = Answer | |
to calculate probability | |
if ( integrand > maximum value of the integrand within the range ) | |
usually if( f(x) > a*y ), x and y are random value, and a is maxima | |
********************************************************************/ |
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#!/bin/csh | |
################################################################################ | |
# function : ln_pdb | |
# description : | |
# link mdx.out.pdb into pdb_out/ | |
# | |
################################################################################ | |
#set mdn = `more ./current_md_num` | |
#set nvs = `more ./current_vst_num` |
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# 4-D plot | |
splot "c1c2c3c4str.dat" using 1:2:3:4 palette | |
pause -1 |
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#""" | |
#from pymol.cgo import * # get constants | |
#from pymol import cmd | |
# | |
#obj = [ | |
# BEGIN, LINES, | |
# COLOR, 1.0, 1.0, 1.0, | |
# | |
# VERTEX, 0.0, 0.0, 0.0, | |
# VERTEX, 1.0, 0.0, 0.0, |
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print "pymol_setting_structure.py v1.0" | |
from pymol.cmd import * | |
### NICE GRAPHICS | |
set_color("oxygen", [1.0,0.4,0.4]) | |
set_color("nitrogen", [0.5,0.5,1.0]) | |
remove("solvent") | |
#show("spheres") | |
util.cbaw() | |
bg_color("white") |
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#pymolrc hnishi | |
import os | |
os.environ["http_proxy"] = "http://150.12.96.27:8080/" | |
os.environ["ftp_proxy"] = os.environ["http_proxy"] | |
set h_bond_cutoff_center, 3.5 | |
set h_bond_max_angle, 30 | |
set cartoon_ring_mode, 3 |
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" vimrc of hnishi | |
set paste | |
syntax on | |
colorscheme default | |
" start at the line you ended last time | |
autocmd BufReadPost * if line("'\"") > 0 && line("'\"") <= line("$") | exe "normal g`\"" | endif | |
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#!/usr/bin/env python | |
# Tell PyMOL we don't want any GUI features. | |
# It runs PyMol fullscreen stereo, and disables the internal gui. | |
import __main__ | |
__main__.pymol_argv = [ 'pymol', '-qei' ] #$ pymol -qei | |
# Importing the PyMOL module will create the window. | |
import pymol | |
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import sys | |
import pymol | |
stdout = sys.stdout | |
stderr = sys.stderr | |
pymol.finish_launching(['pymol', '-xiq']) | |
sys.stdout = stdout | |
sys.stderr = stderr | |
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#!/bin/bash | |
#awk 'NR==1{print $1}' inp.dat | |
#num=8 | |
num=$(wc -l inp.dat|awk '{print $1}') | |
dir=/work1/hnishi/4thTrial/ama2/md/md28 | |
ref=/work1/hnishi/4thTrial/ama2/inp_data/cut_3547.pdb | |
for((i=1;i<=$num;i++)) | |
do |
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