code for helical wheel plot
Hi friends,
Some time ago i offered to give the code for a program
which will generate the coordinates for helix wheel given a sequence
of alpha helix.
since i recieved a large no. of requests from the people
asking for such a program, i have decided to post it to the CCL
[A[C[C[C[C[C[C[C[C[C[C[C[C[C[C[C[C[C[C[C[C[C[C[C[C[C[C[C[C[C[C[C[C[C[C[C[C[C[C[C[C[C[C[C[C[C[C[C[C[C[C[C[C[C[C[C[C[C[C[C[C[C[C[C.
Please take this program from here. Since it would require me spend
a lot of time for individual postings, i hope CCL will be convenient
to all of us.
About the program:
This is a very very simple fortran program. It takes an
initial arbit point with (r,phi,z) as (10,0,0) and keeps on rotating
this point by 100 deg. for each amino acid in the seq. It increase
the radius of circle by 5 every 18 residues to avoid overlapping of
the points.
INPUT : input to this program is in SINGLE letter code of amino
acids in format (40(1x,a1))
Outpot : Output lists the amino acid in SINGLE letter code and
Coordinates associated with it in a format that is analogous to
PDB format. The format of the output is (13x,a1,16x,3f8.3).
*********start of the code********************************************
c program helical wheel
c it generate the coordinates for plotting a helical wheel for
c given sequence of the helix. Method is from
c schiffer & Edmundson, Biophyscal J. (1967).
c maximum length of helix taken is 40 Amino acids
parameter (i=50)
character*1 r
dimension r(i),x(i),y(i),z(i)
dimension rad(i),phi(i)
open (unit=1,file='hel.inp')
open (unit=2,file='hel.out')
10 format (40(1x,a1))
11 format (13x,a1,16x,3(f8.3))
read(1,10) (r(j),j=1,40)
rad(1)=10.0
phi(1)=0.0
z(1)=0.0
k=1
do j=2,40
if (r(j).ne.' ') then
k=k+1
if (j.le.18) rad(j)=rad(1)
if ((j.gt.18).and.(j.le.36)) rad(j)=rad(1)+5.0
if (j.gt.36) rad(j)=rad(1)+10.0
phi(j)=phi(j-1)+100.0
if(phi(j).ge.360.0) phi(j)=phi(j)-360.0
z(j)=0.0
endif
enddo
pi=acos(-1.0)/180.0
do j=1,k
phi(j)=pi*phi(j)
x(j)=rad(j)*cos(phi(j))
y(j)=rad(j)*sin(phi(j))
write(2,11) r(j),x(j),y(j),z(j)
enddo
stop
end
[B[B[B[B[B[B[B[B[B[B[B[B[B[B[B[B[B[B[B[B[B[B[B[B
********end of the code ***********************************************
users can change the code at the will and pass it on to
whomever they wish. This coordinates from this program can visualized
in any graphics program .e.g. DTMM (DeskTop Molecular Modellar)
and pltted. In case any body finds a bug in the program, please
send a mail to me at
san : at : mbu.iisc.ernet.in
sandeep kumar