+++ /dev/null
- module geometry_data
-!-----------------------------------------------------------------------------
-! commom.bounds
-! common /bounds/
- real(kind=8),dimension(:,:),allocatable :: phibound !(2,maxres)
-!-----------------------------------------------------------------------------
-! commom.chain
-! common /chain/
- real(kind=8),dimension(:,:),allocatable :: c !(3,maxres2+2)
- real(kind=8),dimension(:,:),allocatable :: dc,dc_old,&
- dc_norm,dc_norm2 !(3,0:maxres2)
- real(kind=8),dimension(:,:),allocatable :: xloc,xrot !(3,maxres)
- real(kind=8),dimension(:),allocatable :: dc_work !(MAXRES6)
- integer :: nres,nres0
-! common /rotmat/
- real(kind=8),dimension(:,:,:),allocatable :: prod,rt !(3,3,maxres)
-! common /refstruct/
- real(kind=8),dimension(:,:,:),allocatable :: cref !(3,maxres2+2,maxperm),
- real(kind=8),dimension(:,:),allocatable :: crefjlee !(3,maxres2+2),
- real(kind=8),dimension(:,:,:),allocatable :: chain_rep !(3,maxres2+2,maxsym)
- integer :: nsup,nstart_sup,nstart_seq,chain_length,iprzes,nperm
- integer :: nend_sup,ishift_pdb !wham
- real(kind=8) :: rmssing,anatemp !wham
- integer,dimension(:,:),allocatable :: tabperm !(maxperm,maxsym)
-! common /from_zscore/ in module.compare
-!-----------------------------------------------------------------------------
-! common.geo
-! common /geo/
- real(kind=8) :: pi,dwapi,pipol,pi3,dwapi3,deg2rad,rad2deg,angmin
-!-----------------------------------------------------------------------------
-! common.local
-! Inverses of the actual virtual bond lengths
-! common /invlen/
- real(kind=8),dimension(:),allocatable :: vbld_inv !(maxres2)
-!-----------------------------------------------------------------------------
-! Max. number of lobes in SC distribution
- integer,parameter :: maxlob=5
-!-----------------------------------------------------------------------------
-! Max number of symetric chains
- integer,parameter :: maxsym=50
- integer,parameter :: maxperm=120
-!-----------------------------------------------------------------------------
-! common.var
-! Store the geometric variables in the following COMMON block.
-! common /var/
- real(kind=8),dimension(:),allocatable :: theta,phi,alph,omeg,&
- thetaref,phiref,costtab,sinttab,cost2tab,sint2tab !(maxres)
- real(kind=8),dimension(:),allocatable :: vbld !(2*maxres)
- real(kind=8),dimension(:,:),allocatable :: omicron !(2,maxres)
- real(kind=8),dimension(:,:),allocatable :: tauangle !(3,maxres)
- real(kind=8),dimension(:),allocatable :: xxtab,yytab,zztab,&
- xxref,yyref,zzref !(maxres)
- integer,dimension(:,:),allocatable :: ialph !(maxres,2)
- integer,dimension(:),allocatable :: ivar !(4*maxres2)
- integer :: ntheta,nphi,nside,nvar
-!-----------------------------------------------------------------------------
- integer,dimension(:),allocatable :: itype_pdb !(maxres) initialize in molread
-!-----------------------------------------------------------------------------
-!-----------------------------------------------------------------------------
- end module geometry_data