Changeset bd2278d for outpdb.f

Timestamp:

09/05/08 11:49:42 (16 years ago)

Author:

baerbaer <baerbaer@…>

Branches:

master

Children:

fafe4d6

Parents:

2ebb8b6

Message:

Reformatting comments and continuation marks.

Fortran 90 and higher use ! to mark comments no matter where they are in the
code. The only valid continuation marker is &.
I also added the SMMP.kdevelop.filelist to the repository to make it easier
to use kdevelop.

git-svn-id: ​svn+ssh://svn.berlios.de/svnroot/repos/smmp/trunk@12 26dc1dd8-5c4e-0410-9ffe-d298b4865968

File:

• outpdb.f (modified) (4 diffs)

outpdb.f

@@ -1 @@
-c **************************************************************
-c
-c This file contains the subroutines: outpdb
-c
-c Copyright 2003-2005  Frank Eisenmenger, U.H.E. Hansmann,
-c                      Shura Hayryan, Chin-Ku 
-c Copyright 2007       Frank Eisenmenger, U.H.E. Hansmann,
-c                      Jan H. Meinke, Sandipan Mohanty
-c
-c **************************************************************
+! **************************************************************
+!
+! This file contains the subroutines: outpdb
+!
+! Copyright 2003-2005  Frank Eisenmenger, U.H.E. Hansmann,
+!                      Shura Hayryan, Chin-Ku 
+! Copyright 2007       Frank Eisenmenger, U.H.E. Hansmann,
+!                      Jan H. Meinke, Sandipan Mohanty
+!
+! **************************************************************
 
       subroutine outpdb(nml,fileName)
 
-c ..............................................
-c  PURPOSE:  write coordinates of molecule 'nml'
-c            in PDB-format (with specialities for hydrogens)
-c
-c  INPUT:    nml - number of molecule
-c
-c            npdb - unit of output-file
-c
-c  CALLS:    toupst,iendst
-c ..............................................
+! ..............................................
+!  PURPOSE:  write coordinates of molecule 'nml'
+!            in PDB-format (with specialities for hydrogens)
+!
+!  INPUT:    nml - number of molecule
+!
+!            npdb - unit of output-file
+!
+!  CALLS:    toupst,iendst
+! ..............................................
 
       include 'INCL.H'
@@ -90 +90 @@
               j = iendst(atnm)
               if (ichar(atnm(j:j)).ge.i0.and.
-     #            ichar(atnm(j:j)).le.i9) then
+     &            ichar(atnm(j:j)).le.i9) then
                 atnm(1:1)=atnm(j:j)
                 atnm(j:j)=' '
@@ -102 +102 @@
             linout = ' '
             write (linout,1) linty,iat,atnm,res(1:3),chid,irs,cdin,
-     #                       xat(i),yat(i),zat(i),occ,bva
+     &                       xat(i),yat(i),zat(i),occ,bva
             write(iout,'(a80)') linout
 
@@ -115 +115 @@
       enddo  ! molecules
 
-c ______________________________________ connectivity
-c                                        ( only bonds i-j with i<j)
+! ______________________________________ connectivity
+!                                        ( only bonds i-j with i<j)
 
       do iml = im1,im2