Update of /cvsroot/fink/dists/10.7/stable/main/finkinfo/sci
In directory
sfp-cvs-1.v30.ch3.sourceforge.com:/tmp/cvs-serv25499/10.7/stable/main/finkinfo/sci
Added Files:
freehelix.patch
Log Message:
freehelix: add missing/forgotten patch file.
--- NEW FILE: freehelix.patch ---
diff -Naur ../freehelix98old/freehel98.for ./freehel98.for
--- ../freehelix98old/freehel98.for 2006-07-28 00:00:00.000000000 +0200
+++ ./freehel98.for 2009-09-12 11:53:38.000000000 +0200
@@ -2350,7 +2350,7 @@
DATA IST/'*'/
READ(*,'(A80)') INP
OPEN(UNIT=L11,FILE=INP(1:(index(INP,' ')-1)),STATUS='OLD',
- * READONLY)
+ * action='read')
C OPEN(UNIT=L11,STATUS='OLD',READONLY)
IB=3
NOCH=6
diff -Naur ../freehelix98old/freehelix.patch ./freehelix.patch
--- ../freehelix98old/freehelix.patch 1970-01-01 01:00:00.000000000 +0100
+++ ./freehelix.patch 2009-09-12 12:36:51.000000000 +0200
@@ -0,0 +1,12 @@
+diff -Naur ../freehelix98old/freehel98.for ./freehel98.for
+--- ../freehelix98old/freehel98.for 2006-07-28 00:00:00.000000000 +0200
++++ ./freehel98.for 2009-09-12 11:53:38.000000000 +0200
+@@ -2350,7 +2350,7 @@
+ DATA IST/'*'/
+ READ(*,'(A80)') INP
+ OPEN(UNIT=L11,FILE=INP(1:(index(INP,' ')-1)),STATUS='OLD',
+- * READONLY)
++ * action='read')
+ C OPEN(UNIT=L11,STATUS='OLD',READONLY)
+ IB=3
+ NOCH=6
diff -Naur ../freehelix98old/sel98.for ./sel98.for
--- ../freehelix98old/sel98.for 2006-07-28 00:00:00.000000000 +0200
+++ ./sel98.for 2009-09-12 12:17:40.000000000 +0200
@@ -59,9 +59,9 @@
C
102 READ(*,1)TNAME
IF(TNAME.NE.' BASE PAIR N')GO TO 102
- READ(*,3)
- READ(*,3)
- READ(*,3)
+ READ(*,333)
+ READ(*,333)
+ READ(*,333)
C
C READ IN X,Y NORMAL COSINES
C
@@ -81,12 +81,12 @@
C
C READ IN NORMAL ANGLE MATRIX
C
- READ(*,3)
- READ(*,3)
- READ(*,3)
+ READ(*,333)
+ READ(*,333)
+ READ(*,333)
READ(*,452)(NJAY(J),J=1,NBPR)
452 FORMAT(8X,50I4)
- READ(*,3)
+ READ(*,333)
DO 453 I=1,NBPR
READ(*,452)(IANGALL(I,J),J=1,NBPR)
453 CONTINUE
@@ -101,12 +101,12 @@
C
C READ IN 1ST HALF OF NORMAL ANGLE MATRIX
C
- READ(*,3)
- READ(*,3)
- READ(*,3)
+ READ(*,333)
+ READ(*,333)
+ READ(*,333)
READ(*,852)(NJAY(J),J=1,25)
852 FORMAT(8X,50I4)
- READ(*,3)
+ READ(*,333)
DO 853 I=1,NBPR
READ(*,852)(IANGALL(I,J),J=1,25)
853 CONTINUE
@@ -120,12 +120,12 @@
C
C READ IN 2ND HALF OF NORMAL ANGLE MATRIX
C
- READ(*,3)
- READ(*,3)
- READ(*,3)
+ READ(*,333)
+ READ(*,333)
+ READ(*,333)
READ(*,952)(NJAY(J),J=26,NBPR)
952 FORMAT(8X,50I4)
- READ(*,3)
+ READ(*,333)
DO 953 I=1,NBPR
READ(*,952)(IANGALL(I,J),J=26,NBPR)
953 CONTINUE
@@ -138,8 +138,9 @@
1 FORMAT(A12)
IF(TNAME.NE.' BEST PLANE')GO TO 2
DO 10 J=1,3
-10 READ(*,3)
+10 READ(*,333)
3 FORMAT(1H )
+333 FORMAT(1X)
C
C READ IN TABLES OF BASE STEPS AND BASE PAIRS FROM BROLL
C
@@ -158,7 +159,7 @@
6 READ(*,1)TNAME
IF(TNAME.NE.' ROTATION ')GO TO 6
DO 7 K=1,5
-7 READ(*,3)
+7 READ(*,333)
C
C READ IN FIRST TABLES FROM CYLIN
C
@@ -171,7 +172,7 @@
C
11 READ(*,1)TNAME
IF(TNAME.NE.' STRAND 2')GO TO 11
- READ(*,3)
+ READ(*,333)
C
C READ IN SECOND TABLES FROM CYLIN
C
@@ -186,7 +187,7 @@
C
14 READ(*,1)TNAME
IF(TNAME.NE.' ALPHA ')GO TO 14
- READ(*,3)
+ READ(*,333)
C
C READ FIRST TORAN LIST
C
@@ -199,7 +200,7 @@
C
47 READ(*,1)TNAME
IF(TNAME.NE.' ALPHA ')GO TO 47
- READ(*,3)
+ READ(*,333)
C
C READ SECOND TORAN LIST
C
@@ -212,7 +213,7 @@
C
50 READ(*,1)TNAME
IF(TNAME.NE.' V0 ')GO TO 50
- READ(*,3)
+ READ(*,333)
C
C READ FIRST PSEUDO VALUES
C
@@ -225,7 +226,7 @@
C
60 READ(*,1)TNAME
IF(TNAME.NE.' V0 ')GO TO 60
- READ(*,3)
+ READ(*,333)
C
C READ SECOND PSEUDO VALUES
C
diff -Naur ../freehelix98old/test.com ./test.com
--- ../freehelix98old/test.com 2006-07-28 00:00:00.000000000 +0200
+++ ./test.com 2009-09-12 11:27:44.000000000 +0200
@@ -1,10 +1,10 @@
-#command file for freehel97 on UNIX machines tkc 1/23/98
-#for meaning of keywords, refer to freehel98.tex
+#command file for freehel98 on UNIX machines tkc 1/23/98
+#for meaning of keywords, refer to freehel98.txt
#*.dat, *.PDB, & *.po4 files have the pdb filename (represented as *) as prefix
#******* enter the pdb file name on the line after the 'END' keyword *******
#
-echo "Executing newhel98 ..."
-freehel97.exe<<eof>test.freehelix
+echo "Executing freehel98 ..."
+freehel98 <<eof >test.freehelix
TITL TBPJ C-G-T-A-T-A-T-A-T-A-C-G Juo & Dickerson--Human TBP/DNA
CELL 1., 1., 1., 90., 90., 90.
BRKH
@@ -25,7 +25,7 @@
test.inp
eof
#
-echo "freehel97 finished and output as *.out, *.PDB, *.dat, and *.po4 "
+echo "freehel98 finished and output as *.out, *.PDB, *.dat, and *.po4 "
echo "Executing sel98 ..."
-sel98.exe <test.freehelix >test.sel
+sel98 <test.freehelix >test.sel
echo "sel98 finished. "
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