make cp src-HCD-5D

[unres.git] / source / unres / src-HCD-5D / readpdb.F

diff --git a/source/unres/src-HCD-5D/readpdb.F b/source/unres/src-HCD-5D/readpdb.F
index 68db17c..943d67d 100644 (file)
--- a/source/unres/src-HCD-5D/readpdb.F
+++ b/source/unres/src-HCD-5D/readpdb.F
@@ -1,7 +1,7 @@
       subroutine readpdb
 C Read the PDB file and convert the peptide geometry into virtual-chain 
 C geometry.
-      implicit real*8 (a-h,o-z)
+      implicit none
       include 'DIMENSIONS'
       include 'COMMON.LOCAL'
       include 'COMMON.VAR'
@@ -11,15 +11,17 @@ C geometry.
       include 'COMMON.GEO'
       include 'COMMON.NAMES'
       include 'COMMON.CONTROL'
-      include 'COMMON.DISTFIT'
+      include 'COMMON.FRAG'
       include 'COMMON.SETUP'
       include 'COMMON.SBRIDGE'
       character*3 seq,atom,res
       character*80 card
-      dimension sccor(3,50)
+      double precision sccor(3,50)
       double precision e1(3),e2(3),e3(3)
       integer rescode,iterter(maxres),cou
       logical fail
+      integer i,j,iii,ires,ires_old,ishift,ibeg
+      double precision dcj
       bfac=0.0d0
       do i=1,maxres
          iterter(i)=0
@@ -304,7 +306,7 @@ cc enddiag
       end
 c---------------------------------------------------------------------------
       subroutine int_from_cart(lside,lprn)
-      implicit real*8 (a-h,o-z)
+      implicit none
       include 'DIMENSIONS'
 #ifdef MPI
       include "mpif.h"
@@ -318,11 +320,14 @@ c---------------------------------------------------------------------------
       include 'COMMON.NAMES'
       include 'COMMON.CONTROL'
       include 'COMMON.SETUP'
+      double precision dist,alpha,beta
       character*3 seq,atom,res
       character*80 card
-      dimension sccor(3,50)
+      double precision sccor(3,50)
       integer rescode
       logical lside,lprn
+      integer i,j,iti
+      double precision di,cosfac2,sinfac2,cosfac,sinfac
 #ifdef MPI
       if(me.eq.king.or..not.out1file)then
 #endif
@@ -414,7 +419,7 @@ c      print *,"A TU2"
       end
 c-------------------------------------------------------------------------------
       subroutine sc_loc_geom(lprn)
-      implicit real*8 (a-h,o-z)
+      implicit none
       include 'DIMENSIONS'
 #ifdef MPI
       include "mpif.h"
@@ -430,6 +435,8 @@ c-------------------------------------------------------------------------------
       include 'COMMON.SETUP'
       double precision x_prime(3),y_prime(3),z_prime(3)
       logical lprn
+      integer i,j,it
+      double precision xx,yy,zz,cosfac,cosfac2,sinfac,sinfac2
       do i=1,nres-1
         do j=1,3
           dc_norm(j,i)=vbld_inv(i+1)*(c(j,i+1)-c(j,i))
@@ -521,10 +528,12 @@ c
       end
 c---------------------------------------------------------------------------
       subroutine sccenter(ires,nscat,sccor)
-      implicit real*8 (a-h,o-z)
+      implicit none
       include 'DIMENSIONS'
       include 'COMMON.CHAIN'
-      dimension sccor(3,50)
+      integer i,j,ires,nscat
+      double precision sccor(3,50)
+      double precision sccmj
       do j=1,3
         sccmj=0.0D0
         do i=1,nscat
@@ -536,13 +545,13 @@ c---------------------------------------------------------------------------
       end
 c---------------------------------------------------------------------------
       subroutine bond_regular
-      implicit real*8 (a-h,o-z)
+      implicit none
       include 'DIMENSIONS'   
       include 'COMMON.VAR'
       include 'COMMON.LOCAL'      
-      include 'COMMON.CALC'
       include 'COMMON.INTERACT'
       include 'COMMON.CHAIN'
+      integer i,i1,i2
       do i=1,nres-1
        vbld(i+1)=vbl
        vbld_inv(i+1)=vblinv
@@ -569,7 +578,7 @@ c---------------------------------------------------------------------------
       subroutine readpdb_template(k)
 C Read the PDB file for read_constr_homology with read2sigma
 C and convert the peptide geometry into virtual-chain geometry.
-      implicit real*8 (a-h,o-z)
+      implicit none
       include 'DIMENSIONS'
       include 'COMMON.LOCAL'
       include 'COMMON.VAR'
@@ -579,10 +588,10 @@ C and convert the peptide geometry into virtual-chain geometry.
       include 'COMMON.GEO'
       include 'COMMON.NAMES'
       include 'COMMON.CONTROL'
-      include 'COMMON.DISTFIT'
+      include 'COMMON.FRAG'
       include 'COMMON.SETUP'
-      integer i,j,ibeg,ishift1,ires,iii,ires_old,ishift,ity,
-     &  ishift_pdb
+      integer i,j,k,ibeg,ishift1,ires,iii,ires_old,ishift,ity,
+     &  ishift_pdb,ires_ca
       logical lprn /.false./,fail
       double precision e1(3),e2(3),e3(3)
       double precision dcj,efree_temp