Re: [ccp4bb] Calculation of angle between two helix of different subunits

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CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Previous message:
Subject: Re: Calculation of angle between two helix of different subunits
From: Charlie Bond Charles {- dot -} Bond {- at -} UWA {- dot -} EDU {- dot -} AU
Date: 2009-04-16

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Subject: Re: Calculation of angle between two helix of different subunits
From: Christopher Colbert Christopher {- dot -} Colbert {- at -} UTSOUTHWESTERN {- dot -} EDU
Date: 2009-04-16

Subject: Re: Calculation of angle between two helix of different subunits
From: Clemens Vonrhein vonrhein {- at -} GLOBALPHASING {- dot -} COM
Date: 2009-04-16

#!/bin/sh
version="Time-stamp: <2009-04-16 12:47:59 vonrhein>"
#
# Copyright 2008 by Global Phasing Limited
#
# All rights reserved.
#
# Author (2008) Clemens Vonrhein
#
# Contact buster-develop@GlobalPhasing.com
#
#----------------------------------------------------------------------
# BEGIN OF USER INPUT
#----------------------------------------------------------------------

#----------------------------------------------------------------------
# END OF USER INPUT
#----------------------------------------------------------------------
echo " " >&2
echo " ============================================================================ " >&2
echo " " >&2
echo " Copyright (C) 2008 by Global Phasing Limited" >&2
echo " " >&2
echo " All rights reserved." >&2
echo " " >&2
echo " ---------------------------------------------------------------------------- " >&2
echo " " >&2
echo " Contact: buster-develop@GlobalPhasing.com" >&2
echo " " >&2
ShortVersion=`echo $version
cut -f2- -d':'
sed "s/ [a-z0-9][a-z0-9][a-z0-9]*>/>/g"`
echo " Program: `basename $0` version ${ShortVersion} " >&2
echo " " >&2
echo " ============================================================================ " >&2
echo " " >&2
#----------------------------------------------------------------------
# BEGIN OF SCRIPT
#----------------------------------------------------------------------

usage () {
echo " "
echo " USAGE: $0 "
echo " "
echo " : XYZ coordinates of vector A"
echo " "
echo " : XYZ coordinates of vector B"
echo " "
}

[ $# -ne 6 ] && usage && exit 1

echo $@
awk 'BEGIN{
PI = 4*atan2(1,1)
DTOR = PI/180
RTOD = 180/PI
}
function Sin(x) { return sin(x*DTOR) }
function Cos(x) { return cos(x*DTOR) }
function Tan(x) { return Sin(x)/Cos(x) }
function ASin(x) { return atan2(x,sqrt(1 - x * x))*RTOD }
function ACos(x) { return atan2(sqrt(1 - x * x),x)*RTOD }
function ATan2(y,x){ return atan2(y,x)*RTOD }
{
ax=$1;ay=$2;az=$3
l=sqrt(ax*ax+ay*ay+az*az)
x1=ax/l;y1=ay/l;z1=az/l
bx=$4;by=$5;bz=$6
l=sqrt(bx*bx+by*by+bz*bz)
x2=bx/l;y2=by/l;z2=bz/l
dot=x1*x2+y1*y2+z1*z2
ang=ACos(dot)
printf(" %15.5f %15.5f ",ax,bx)
printf(" angle between %15.5f and %15.5f = %15.5f degree ",ay,by,ang)
printf(" %15.5f %15.5f ",az,bz)
printf(" ")
}'
#----------------------------------------------------------------------
# END OF SCRIPT
#----------------------------------------------------------------------

CCP4bb navigation

CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Previous message:
Subject: Re: Calculation of angle between two helix of different subunits
From: Charlie Bond Charles {- dot -} Bond {- at -} UWA {- dot -} EDU {- dot -} AU
Date: 2009-04-16