Update to 3.9
PR: 30398 Submitted by: MAINTAINER
This commit is contained in:
Mario Sergio Fujikawa Ferreira
parent
2dbbb021e7
commit
dfd533edaa
Notes:
svn2git
2021-03-31 03:12:20 +00:00
svn path=/head/; revision=47779
12 changed files with 161 additions and 116 deletions
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@ -6,8 +6,7 @@
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#
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PORTNAME= tinker
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PORTVERSION= 3.8
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PORTREVISION= 1
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PORTVERSION= 3.9
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CATEGORIES= biology
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MASTER_SITES= ftp://dasher.wustl.edu/pub/
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DISTNAME= ${PORTNAME}
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@ -24,6 +23,11 @@ INSTALL_TARGET= rename
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RESTRICTED= author requests no distribution except from his FTP site
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pre-fetch:
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@${ECHO_MSG} ""
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@${ECHO_MSG} If you get a CHECKSUM mismatch, try doing a \'make distclean\' first.
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@${ECHO_MSG} ""
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.if defined(WANT_VIEWER)
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.if ${XFREE86_VERSION} == 3
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BUILD_DEPENDS+= imake:${PORTSDIR}/devel/imake
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@ -64,8 +68,12 @@ ${PREFIX}/share/doc/tinker
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${INSTALL_DATA} ${WRKDIR}/tinker/doc/*.ps \
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${PREFIX}/share/doc/tinker
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${INSTALL_DATA} ${WRKDIR}/tinker/doc/*.txt \
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${PREFIX}/share/doc/tinker
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${INSTALL_DATA} ${WRKDIR}/tinker/doc/release* \
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${PREFIX}/share/doc/tinker
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${INSTALL_DATA} ${WRKDIR}/tinker/example/README \
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${PREFIX}/share/examples/tinker
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${INSTALL_SCRIPT} ${WRKDIR}/tinker/example/clean.make \
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${PREFIX}/share/examples/tinker
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${INSTALL_DATA} ${WRKDIR}/tinker/example/*.1st \
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${PREFIX}/share/examples/tinker
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@ -86,22 +94,22 @@ ${PREFIX}/share/examples/tinker
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${INSTALL_DATA} ${WRKDIR}/tinker/example/*.pdb \
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${PREFIX}/share/examples/tinker
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${INSTALL_DATA} ${WRKDIR}/tinker/example/*.xyz \
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${PREFIX}/share/examples/tinker
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${INSTALL_SCRIPT} ${WRKDIR}/tinker/example/clean.make \
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${PREFIX}/share/examples/tinker
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${INSTALL_SCRIPT} ${WRKDIR}/tinker/example/*.run \
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${PREFIX}/share/examples/tinker
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${INSTALL_DATA} ${WRKDIR}/tinker/bench/README \
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${PREFIX}/share/tinker/bench
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${INSTALL_DATA} ${WRKDIR}/tinker/bench/*.dyn0 \
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${PREFIX}/share/tinker/bench
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${INSTALL_DATA} ${WRKDIR}/tinker/bench/*.log \
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${PREFIX}/share/tinker/bench
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${INSTALL_DATA} ${WRKDIR}/tinker/bench/*.key \
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${PREFIX}/share/tinker/bench
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${INSTALL_SCRIPT} ${WRKDIR}/tinker/bench/*.run \
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${PREFIX}/share/tinker/bench
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${INSTALL_DATA} ${WRKDIR}/tinker/bench/*.xyz \
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${PREFIX}/share/tinker/bench
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${INSTALL_DATA} ${WRKDIR}/tinker/bench/results* \
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${PREFIX}/share/tinker/bench
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${INSTALL_SCRIPT} ${WRKDIR}/tinker/bench/*.run \
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${PREFIX}/share/tinker/bench
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${INSTALL_DATA} ${WRKDIR}/tinker/test/* ${PREFIX}/share/tinker/test
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.endif
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@ -109,7 +117,9 @@ ${PREFIX}/share/tinker/bench
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.if defined(WANT_VIEWER)
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${MKDIR} ${PREFIX}/share/tinker/rasmol
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${INSTALL_PROGRAM} ${WRKDIR}/tinker/rasmol/tview-* ${PREFIX}/bin
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${INSTALL_DATA} ${WRKDIR}/tinker/rasmol/rasmol.hlp ${PREFIX}/share/tinker/rasmol
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${INSTALL_SCRIPT} ${FILESDIR}/tview ${PREFIX}/bin
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${INSTALL_DATA} ${WRKDIR}/tinker/rasmol/rasmol.hlp \
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${PREFIX}/share/tinker/rasmol
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.endif
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@ -1 +1 @@
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MD5 (tinker.tar.gz) = 11e66fb5452e2153a2ced410ea9acadb
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MD5 (tinker.tar.gz) = a48fc15fe668f8e41d0cc3316a582928
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@ -1,5 +1,5 @@
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--- ../make/Makefile.orig Mon Jan 15 12:39:52 2001
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+++ ../make/Makefile Thu Apr 19 14:39:26 2001
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--- ../make/Makefile.orig Sat Jul 21 10:04:48 2001
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+++ ../make/Makefile Wed Sep 5 13:51:19 2001
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@@ -9,8 +9,8 @@
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##
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## 1. make all Build all the TINKER executables
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@ -68,7 +68,7 @@
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#################################################################
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## Should not be Necessary to Change Things Below this Point ##
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#################################################################
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@@ -486,11 +504,13 @@
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@@ -494,11 +512,13 @@
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xyzpdb.x \
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xyzsybyl.x
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@ -84,7 +84,7 @@
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all: ${EXEFILES}
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@@ -501,56 +521,56 @@
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@@ -509,57 +529,57 @@
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cat *.i *.f > tinker.txt
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rename:
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@ -112,6 +112,7 @@
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- mv optrigid.x $(BINDIR)/optrigid
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- mv path.x $(BINDIR)/path
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- mv pdbxyz.x $(BINDIR)/pdbxyz
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- mv polarize.x $(BINDIR)/polarize
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- mv protein.x $(BINDIR)/protein
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- mv pss.x $(BINDIR)/pss
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- mv pssrigid.x $(BINDIR)/pssrigid
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@ -162,6 +163,7 @@
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+ ${INSTALL_PROGRAM} optrigid.x $(BINDIR)/optrigid
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+ ${INSTALL_PROGRAM} path.x $(BINDIR)/path
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+ ${INSTALL_PROGRAM} pdbxyz.x $(BINDIR)/pdbxyz
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+ ${INSTALL_PROGRAM} polarize.x $(BINDIR)/polarize
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+ ${INSTALL_PROGRAM} protein.x $(BINDIR)/protein
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+ ${INSTALL_PROGRAM} pss.x $(BINDIR)/pss
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+ ${INSTALL_PROGRAM} pssrigid.x $(BINDIR)/pssrigid
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@ -191,7 +193,7 @@
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remove_links:
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rm -f $(LINKDIR)/alchemy
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@@ -671,8 +691,8 @@
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@@ -682,8 +702,8 @@
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bspline.o \
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calendar.o \
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center.o \
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@ -1,11 +0,0 @@
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--- sizes.i.orig Fri Jan 12 11:43:06 2001
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+++ sizes.i Fri Jan 12 11:43:38 2001
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@@ -52,7 +52,7 @@
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integer maxvar,maxopt,maxhess,maxlight,maxvib,maxgeo,maxcell
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integer maxring,maxfix,maxbio,maxres,maxamino,maxnuc,maxbnd
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integer maxang,maxtors,maxpi,maxpib,maxpit
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- parameter (maxatm=10000)
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+ parameter (maxatm=2500)
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parameter (maxval=4)
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parameter (maxgrp=100)
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parameter (maxtyp=1000)
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@ -1,5 +1,5 @@
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--- ../bench/bench-1.run.orig Tue Jan 9 14:28:53 2001
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+++ ../bench/bench-1.run Tue Jan 9 14:29:19 2001
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--- ../bench/bench1.run.orig Tue Jul 24 14:02:20 2001
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+++ ../bench/bench1.run Wed Sep 5 13:57:02 2001
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@@ -1 +1 @@
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-../bin/timer bench-1 1 y
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+timer bench-1 1 y
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-../bin/timer bench1 1 y
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+timer bench1 1 y
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@ -1,5 +1,5 @@
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--- ../bench/bench-2.run.orig Tue Jan 9 14:29:26 2001
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+++ ../bench/bench-2.run Tue Jan 9 14:29:33 2001
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--- ../bench/bench2.run.orig Tue Jul 24 14:02:20 2001
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+++ ../bench/bench2.run Wed Sep 5 13:58:47 2001
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@@ -1 +1 @@
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-../bin/timer bench-2 1 y
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+timer bench-2 1 y
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-../bin/timer bench2 1 y
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+timer bench2 1 y
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@ -1,5 +1,5 @@
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--- ../bench/bench-3.run.orig Tue Jan 9 14:29:40 2001
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+++ ../bench/bench-3.run Tue Jan 9 14:29:53 2001
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--- ../bench/bench3.run.orig Wed Sep 5 14:00:09 2001
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+++ ../bench/bench3.run Wed Sep 5 14:01:27 2001
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@@ -1 +1 @@
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-time ../bin/vibrate bench-3 0
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+time vibrate bench-3 0
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-time ../bin/vibrate bench3 0
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+time vibrate bench3 0
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@ -1,7 +1,7 @@
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--- ../bench/bench-4.run.orig Tue Jan 9 14:29:59 2001
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+++ ../bench/bench-4.run Tue Jan 9 14:30:14 2001
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--- ../bench/bench4.run.orig Tue Jul 24 14:02:20 2001
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+++ ../bench/bench4.run Wed Sep 5 14:02:17 2001
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@@ -1,3 +1,3 @@
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cp bench-4.dyn0 bench-4.dyn
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-time ../bin/dynamic bench-4 1000 1.0 10.0 2 298.0
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+time dynamic bench-4 1000 1.0 10.0 2 298.0
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rm bench-4.dyn
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cp bench4.dyn0 bench4.dyn
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-time ../bin/dynamic bench4 1000 1.0 10.0 2 298.0
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+time dynamic bench4 1000 1.0 10.0 2 298.0
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rm bench4.dyn
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@ -1,7 +1,7 @@
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--- ../bench/bench-5.run.orig Tue Jan 9 14:30:18 2001
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+++ ../bench/bench-5.run Tue Jan 9 14:30:29 2001
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--- ../bench/bench5.run.orig Tue Jul 24 14:02:20 2001
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+++ ../bench/bench5.run Wed Sep 5 14:03:07 2001
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@@ -1,3 +1,3 @@
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cp bench-5.dyn0 bench-5.dyn
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-time ../bin/dynamic bench-5 100 1.0 10.0 2 298.0
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+time dynamic bench-5 100 1.0 10.0 2 298.0
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rm bench-5.dyn
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cp bench5.dyn0 bench5.dyn
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-time ../bin/dynamic bench5 100 1.0 10.0 2 298.0
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+time dynamic bench5 100 1.0 10.0 2 298.0
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rm bench5.dyn
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21
biology/tinker/files/tview
Normal file
21
biology/tinker/files/tview
Normal file
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@ -0,0 +1,21 @@
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#!/bin/sh
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# Determine if X is running
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if [ -z $DISPLAY ]; then
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echo You must be running X for this.
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else
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# Try to determine the color depth of the X server
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DEPTH=`xwininfo -root | grep Depth | awk '{print $2}'`
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if [ $DEPTH = 24 -o $DEPTH = 32 ]; then
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PROGRAM=tview-32
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elif [ $DEPTH = 16 ]; then
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PROGRAM=tview-16
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elif [ $DEPTH = 8 ]; then
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PROGRAM=tview-8
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else
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echo Can not determine color depth of Display $DISPLAY
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fi
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exec $PROGRAM $@
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fi
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@ -22,6 +22,7 @@ bin/optirot
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bin/optrigid
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bin/path
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bin/pdbxyz
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bin/polarize
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bin/protein
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bin/pss
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bin/pssrigid
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@ -49,7 +50,6 @@ bin/xyzint
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bin/xyzpdb
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bin/xyzsybyl
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%%PORTDOCS%%share/doc/tinker/README
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%%PORTDOCS%%share/doc/tinker/announce.txt
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%%PORTDOCS%%share/doc/tinker/guide.pdf
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%%PORTDOCS%%share/doc/tinker/guide.ps.gz
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%%PORTDOCS%%share/doc/tinker/guide.txt
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@ -58,6 +58,11 @@ bin/xyzsybyl
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%%PORTDOCS%%share/doc/tinker/license.txt
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%%PORTDOCS%%share/doc/tinker/logo.pdf
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%%PORTDOCS%%share/doc/tinker/logo.ps.gz
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%%PORTDOCS%%share/doc/tinker/release-3.2
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%%PORTDOCS%%share/doc/tinker/release-3.6
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%%PORTDOCS%%share/doc/tinker/release-3.7
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%%PORTDOCS%%share/doc/tinker/release-3.8
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%%PORTDOCS%%share/doc/tinker/release-3.9
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%%PORTDOCS%%share/doc/tinker/summary.pdf
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%%PORTDOCS%%share/doc/tinker/summary.ps
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%%PORTDOCS%%share/doc/tinker/summary.txt
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@ -104,24 +109,26 @@ bin/xyzsybyl
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%%PORTDOCS%%share/examples/tinker/salt.key
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%%PORTDOCS%%share/examples/tinker/salt.log
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%%PORTDOCS%%share/examples/tinker/salt.run
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%%PORTDOCS%%share/tinker/bench/bench-1.key
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%%PORTDOCS%%share/tinker/bench/bench-1.run
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%%PORTDOCS%%share/tinker/bench/bench-1.xyz
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%%PORTDOCS%%share/tinker/bench/bench-2.key
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%%PORTDOCS%%share/tinker/bench/bench-2.run
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%%PORTDOCS%%share/tinker/bench/bench-2.xyz
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%%PORTDOCS%%share/tinker/bench/bench-3.key
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%%PORTDOCS%%share/tinker/bench/bench-3.run
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%%PORTDOCS%%share/tinker/bench/bench-3.xyz
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%%PORTDOCS%%share/tinker/bench/bench-4.dyn0
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%%PORTDOCS%%share/tinker/bench/bench-4.key
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%%PORTDOCS%%share/tinker/bench/bench-4.log
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%%PORTDOCS%%share/tinker/bench/bench-4.run
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%%PORTDOCS%%share/tinker/bench/bench-4.xyz
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%%PORTDOCS%%share/tinker/bench/bench-5.dyn0
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%%PORTDOCS%%share/tinker/bench/bench-5.key
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%%PORTDOCS%%share/tinker/bench/bench-5.run
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%%PORTDOCS%%share/tinker/bench/bench-5.xyz
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%%PORTDOCS%%share/tinker/bench/README
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%%PORTDOCS%%share/tinker/bench/bench1.key
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%%PORTDOCS%%share/tinker/bench/bench1.run
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%%PORTDOCS%%share/tinker/bench/bench1.xyz
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%%PORTDOCS%%share/tinker/bench/bench2.key
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%%PORTDOCS%%share/tinker/bench/bench2.run
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%%PORTDOCS%%share/tinker/bench/bench2.xyz
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%%PORTDOCS%%share/tinker/bench/bench3.key
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%%PORTDOCS%%share/tinker/bench/bench3.run
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%%PORTDOCS%%share/tinker/bench/bench3.xyz
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%%PORTDOCS%%share/tinker/bench/bench4.dyn0
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%%PORTDOCS%%share/tinker/bench/bench4.key
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%%PORTDOCS%%share/tinker/bench/bench4.log
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%%PORTDOCS%%share/tinker/bench/bench4.run
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%%PORTDOCS%%share/tinker/bench/bench4.xyz
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%%PORTDOCS%%share/tinker/bench/bench5.dyn0
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%%PORTDOCS%%share/tinker/bench/bench5.key
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%%PORTDOCS%%share/tinker/bench/bench5.log
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%%PORTDOCS%%share/tinker/bench/bench5.run
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%%PORTDOCS%%share/tinker/bench/bench5.xyz
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%%PORTDOCS%%share/tinker/bench/results-2.3
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%%PORTDOCS%%share/tinker/bench/results-2.4
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%%PORTDOCS%%share/tinker/bench/results-2.9
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@ -131,11 +138,11 @@ bin/xyzsybyl
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%%PORTDOCS%%share/tinker/bench/results-3.5
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%%PORTDOCS%%share/tinker/bench/results-3.7
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%%PORTDOCS%%share/tinker/bench/results-3.8
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%%PORTDOCS%%share/tinker/bench/results-3.9
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||||
%%PORTDOCS%%share/tinker/params/README
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||||
%%PORTDOCS%%share/tinker/params/amber.prm
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%%PORTDOCS%%share/tinker/params/amberN.prm
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||||
%%PORTDOCS%%share/tinker/params/charmm.prm
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||||
%%PORTDOCS%%share/tinker/params/emr.prm
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||||
%%PORTDOCS%%share/tinker/params/dudek.prm
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%%PORTDOCS%%share/tinker/params/hoch.prm
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||||
%%PORTDOCS%%share/tinker/params/mm2.prm
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||||
%%PORTDOCS%%share/tinker/params/mm3.prm
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||||
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@ -144,7 +151,6 @@ bin/xyzsybyl
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|||
%%PORTDOCS%%share/tinker/params/oplsaa.prm
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||||
%%PORTDOCS%%share/tinker/params/smooth.prm
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||||
%%PORTDOCS%%share/tinker/params/smoothaa.prm
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||||
%%PORTDOCS%%share/tinker/params/tinker.prm
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||||
%%PORTDOCS%%share/tinker/params/water.prm
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||||
%%PORTDOCS%%share/tinker/test/README
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||||
%%PORTDOCS%%share/tinker/test/ala20.key
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||||
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@ -163,10 +169,8 @@ bin/xyzsybyl
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|||
%%PORTDOCS%%share/tinker/test/bdna.seq
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||||
%%PORTDOCS%%share/tinker/test/bdna.xyz
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||||
%%PORTDOCS%%share/tinker/test/bearing.key
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||||
%%PORTDOCS%%share/tinker/test/bearing.pdb
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||||
%%PORTDOCS%%share/tinker/test/bearing.xyz
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||||
%%PORTDOCS%%share/tinker/test/bearing2.key
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||||
%%PORTDOCS%%share/tinker/test/bearing2.pdb
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||||
%%PORTDOCS%%share/tinker/test/bearing2.xyz
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||||
%%PORTDOCS%%share/tinker/test/benzene.int
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||||
%%PORTDOCS%%share/tinker/test/benzene.key
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||||
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@ -208,10 +212,11 @@ bin/xyzsybyl
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|||
%%PORTDOCS%%share/tinker/test/calmodulin.pdb
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||||
%%PORTDOCS%%share/tinker/test/calmodulin.seq
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||||
%%PORTDOCS%%share/tinker/test/calmodulin.xyz
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||||
%%PORTDOCS%%share/tinker/test/copper.key
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||||
%%PORTDOCS%%share/tinker/test/copper.xyz
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||||
%%PORTDOCS%%share/tinker/test/cpentene.key
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||||
%%PORTDOCS%%share/tinker/test/cpentene.xyz
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||||
%%PORTDOCS%%share/tinker/test/crambin.key
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||||
%%PORTDOCS%%share/tinker/test/crambin.min
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||||
%%PORTDOCS%%share/tinker/test/crambin.pdb
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||||
%%PORTDOCS%%share/tinker/test/crambin.seq
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||||
%%PORTDOCS%%share/tinker/test/crambin.super
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||||
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@ -231,15 +236,15 @@ bin/xyzsybyl
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|||
%%PORTDOCS%%share/tinker/test/cyclo2.int
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||||
%%PORTDOCS%%share/tinker/test/cyclo2.key
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||||
%%PORTDOCS%%share/tinker/test/cyclo2.xyz
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||||
%%PORTDOCS%%share/tinker/test/dang.key
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||||
%%PORTDOCS%%share/tinker/test/dang.xyz
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||||
%%PORTDOCS%%share/tinker/test/diamond.key
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||||
%%PORTDOCS%%share/tinker/test/diamond.xyz
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||||
%%PORTDOCS%%share/tinker/test/diene.int
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||||
%%PORTDOCS%%share/tinker/test/diene.key
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||||
%%PORTDOCS%%share/tinker/test/diene.xyz
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||||
%%PORTDOCS%%share/tinker/test/dimethane.key
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||||
%%PORTDOCS%%share/tinker/test/dimethane.xyz
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||||
%%PORTDOCS%%share/tinker/test/diwater.key
|
||||
%%PORTDOCS%%share/tinker/test/diwater.lin
|
||||
%%PORTDOCS%%share/tinker/test/diwater.min
|
||||
%%PORTDOCS%%share/tinker/test/diwater.xyz
|
||||
%%PORTDOCS%%share/tinker/test/enkephalin.int
|
||||
%%PORTDOCS%%share/tinker/test/enkephalin.key
|
||||
%%PORTDOCS%%share/tinker/test/enkephalin.make
|
||||
|
|
@ -273,8 +278,13 @@ bin/xyzsybyl
|
|||
%%PORTDOCS%%share/tinker/test/furan.xyz
|
||||
%%PORTDOCS%%share/tinker/test/glucose.key
|
||||
%%PORTDOCS%%share/tinker/test/glucose.xyz
|
||||
%%PORTDOCS%%share/tinker/test/graphite.key
|
||||
%%PORTDOCS%%share/tinker/test/graphite.xyz
|
||||
%%PORTDOCS%%share/tinker/test/helix.dyn
|
||||
%%PORTDOCS%%share/tinker/test/helix.key
|
||||
%%PORTDOCS%%share/tinker/test/helix.xyz
|
||||
%%PORTDOCS%%share/tinker/test/heme.key
|
||||
%%PORTDOCS%%share/tinker/test/heme.xyz
|
||||
%%PORTDOCS%%share/tinker/test/hexane.int
|
||||
%%PORTDOCS%%share/tinker/test/hexane.key
|
||||
%%PORTDOCS%%share/tinker/test/hexane.xyz
|
||||
|
|
@ -301,6 +311,7 @@ bin/xyzsybyl
|
|||
%%PORTDOCS%%share/tinker/test/methanol.xyz
|
||||
%%PORTDOCS%%share/tinker/test/nacl.key
|
||||
%%PORTDOCS%%share/tinker/test/nacl.xyz
|
||||
%%PORTDOCS%%share/tinker/test/naphthalene.int
|
||||
%%PORTDOCS%%share/tinker/test/naphthalene.key
|
||||
%%PORTDOCS%%share/tinker/test/naphthalene.xyz
|
||||
%%PORTDOCS%%share/tinker/test/nma.int
|
||||
|
|
@ -320,21 +331,17 @@ bin/xyzsybyl
|
|||
%%PORTDOCS%%share/tinker/test/octane2.xyz
|
||||
%%PORTDOCS%%share/tinker/test/octene.key
|
||||
%%PORTDOCS%%share/tinker/test/octene.xyz
|
||||
%%PORTDOCS%%share/tinker/test/palmitate.int
|
||||
%%PORTDOCS%%share/tinker/test/palmitate.key
|
||||
%%PORTDOCS%%share/tinker/test/palmitate.xyz
|
||||
%%PORTDOCS%%share/tinker/test/peptide.int
|
||||
%%PORTDOCS%%share/tinker/test/peptide.key
|
||||
%%PORTDOCS%%share/tinker/test/peptide.make
|
||||
%%PORTDOCS%%share/tinker/test/peptide.min
|
||||
%%PORTDOCS%%share/tinker/test/peptide.pdb
|
||||
%%PORTDOCS%%share/tinker/test/peptide.seq
|
||||
%%PORTDOCS%%share/tinker/test/peptide.xyz
|
||||
%%PORTDOCS%%share/tinker/test/phenanth.key
|
||||
%%PORTDOCS%%share/tinker/test/phenanth.xyz
|
||||
%%PORTDOCS%%share/tinker/test/photo.key
|
||||
%%PORTDOCS%%share/tinker/test/photo.pdb
|
||||
%%PORTDOCS%%share/tinker/test/photo.seq
|
||||
%%PORTDOCS%%share/tinker/test/photo.xyz
|
||||
%%PORTDOCS%%share/tinker/test/propane.key
|
||||
%%PORTDOCS%%share/tinker/test/propane.ray
|
||||
%%PORTDOCS%%share/tinker/test/propane.xyz
|
||||
|
|
@ -365,6 +372,10 @@ bin/xyzsybyl
|
|||
%%PORTDOCS%%share/tinker/test/thr.int
|
||||
%%PORTDOCS%%share/tinker/test/thr.key
|
||||
%%PORTDOCS%%share/tinker/test/thr.xyz
|
||||
%%PORTDOCS%%share/tinker/test/tip3p.key
|
||||
%%PORTDOCS%%share/tinker/test/tip3p.xyz
|
||||
%%PORTDOCS%%share/tinker/test/tip4p.key
|
||||
%%PORTDOCS%%share/tinker/test/tip4p.xyz
|
||||
%%PORTDOCS%%share/tinker/test/tip5p.key
|
||||
%%PORTDOCS%%share/tinker/test/tip5p.xyz
|
||||
%%PORTDOCS%%share/tinker/test/water.int
|
||||
|
|
|
|||
|
|
@ -22,6 +22,7 @@ bin/optirot
|
|||
bin/optrigid
|
||||
bin/path
|
||||
bin/pdbxyz
|
||||
bin/polarize
|
||||
bin/protein
|
||||
bin/pss
|
||||
bin/pssrigid
|
||||
|
|
@ -40,6 +41,7 @@ bin/testlight
|
|||
bin/testrot
|
||||
bin/timer
|
||||
bin/timerot
|
||||
bin/tview
|
||||
bin/tview-8
|
||||
bin/tview-16
|
||||
bin/tview-32
|
||||
|
|
@ -52,7 +54,6 @@ bin/xyzint
|
|||
bin/xyzpdb
|
||||
bin/xyzsybyl
|
||||
%%PORTDOCS%%share/doc/tinker/README
|
||||
%%PORTDOCS%%share/doc/tinker/announce.txt
|
||||
%%PORTDOCS%%share/doc/tinker/guide.pdf
|
||||
%%PORTDOCS%%share/doc/tinker/guide.ps.gz
|
||||
%%PORTDOCS%%share/doc/tinker/guide.txt
|
||||
|
|
@ -61,6 +62,11 @@ bin/xyzsybyl
|
|||
%%PORTDOCS%%share/doc/tinker/license.txt
|
||||
%%PORTDOCS%%share/doc/tinker/logo.pdf
|
||||
%%PORTDOCS%%share/doc/tinker/logo.ps.gz
|
||||
%%PORTDOCS%%share/doc/tinker/release-3.2
|
||||
%%PORTDOCS%%share/doc/tinker/release-3.6
|
||||
%%PORTDOCS%%share/doc/tinker/release-3.7
|
||||
%%PORTDOCS%%share/doc/tinker/release-3.8
|
||||
%%PORTDOCS%%share/doc/tinker/release-3.9
|
||||
%%PORTDOCS%%share/doc/tinker/summary.pdf
|
||||
%%PORTDOCS%%share/doc/tinker/summary.ps
|
||||
%%PORTDOCS%%share/doc/tinker/summary.txt
|
||||
|
|
@ -107,24 +113,26 @@ bin/xyzsybyl
|
|||
%%PORTDOCS%%share/examples/tinker/salt.key
|
||||
%%PORTDOCS%%share/examples/tinker/salt.log
|
||||
%%PORTDOCS%%share/examples/tinker/salt.run
|
||||
%%PORTDOCS%%share/tinker/bench/bench-1.key
|
||||
%%PORTDOCS%%share/tinker/bench/bench-1.run
|
||||
%%PORTDOCS%%share/tinker/bench/bench-1.xyz
|
||||
%%PORTDOCS%%share/tinker/bench/bench-2.key
|
||||
%%PORTDOCS%%share/tinker/bench/bench-2.run
|
||||
%%PORTDOCS%%share/tinker/bench/bench-2.xyz
|
||||
%%PORTDOCS%%share/tinker/bench/bench-3.key
|
||||
%%PORTDOCS%%share/tinker/bench/bench-3.run
|
||||
%%PORTDOCS%%share/tinker/bench/bench-3.xyz
|
||||
%%PORTDOCS%%share/tinker/bench/bench-4.dyn0
|
||||
%%PORTDOCS%%share/tinker/bench/bench-4.key
|
||||
%%PORTDOCS%%share/tinker/bench/bench-4.log
|
||||
%%PORTDOCS%%share/tinker/bench/bench-4.run
|
||||
%%PORTDOCS%%share/tinker/bench/bench-4.xyz
|
||||
%%PORTDOCS%%share/tinker/bench/bench-5.dyn0
|
||||
%%PORTDOCS%%share/tinker/bench/bench-5.key
|
||||
%%PORTDOCS%%share/tinker/bench/bench-5.run
|
||||
%%PORTDOCS%%share/tinker/bench/bench-5.xyz
|
||||
%%PORTDOCS%%share/tinker/bench/README
|
||||
%%PORTDOCS%%share/tinker/bench/bench1.key
|
||||
%%PORTDOCS%%share/tinker/bench/bench1.run
|
||||
%%PORTDOCS%%share/tinker/bench/bench1.xyz
|
||||
%%PORTDOCS%%share/tinker/bench/bench2.key
|
||||
%%PORTDOCS%%share/tinker/bench/bench2.run
|
||||
%%PORTDOCS%%share/tinker/bench/bench2.xyz
|
||||
%%PORTDOCS%%share/tinker/bench/bench3.key
|
||||
%%PORTDOCS%%share/tinker/bench/bench3.run
|
||||
%%PORTDOCS%%share/tinker/bench/bench3.xyz
|
||||
%%PORTDOCS%%share/tinker/bench/bench4.dyn0
|
||||
%%PORTDOCS%%share/tinker/bench/bench4.key
|
||||
%%PORTDOCS%%share/tinker/bench/bench4.log
|
||||
%%PORTDOCS%%share/tinker/bench/bench4.run
|
||||
%%PORTDOCS%%share/tinker/bench/bench4.xyz
|
||||
%%PORTDOCS%%share/tinker/bench/bench5.dyn0
|
||||
%%PORTDOCS%%share/tinker/bench/bench5.key
|
||||
%%PORTDOCS%%share/tinker/bench/bench5.log
|
||||
%%PORTDOCS%%share/tinker/bench/bench5.run
|
||||
%%PORTDOCS%%share/tinker/bench/bench5.xyz
|
||||
%%PORTDOCS%%share/tinker/bench/results-2.3
|
||||
%%PORTDOCS%%share/tinker/bench/results-2.4
|
||||
%%PORTDOCS%%share/tinker/bench/results-2.9
|
||||
|
|
@ -134,11 +142,11 @@ bin/xyzsybyl
|
|||
%%PORTDOCS%%share/tinker/bench/results-3.5
|
||||
%%PORTDOCS%%share/tinker/bench/results-3.7
|
||||
%%PORTDOCS%%share/tinker/bench/results-3.8
|
||||
%%PORTDOCS%%share/tinker/bench/results-3.9
|
||||
%%PORTDOCS%%share/tinker/params/README
|
||||
%%PORTDOCS%%share/tinker/params/amber.prm
|
||||
%%PORTDOCS%%share/tinker/params/amberN.prm
|
||||
%%PORTDOCS%%share/tinker/params/charmm.prm
|
||||
%%PORTDOCS%%share/tinker/params/emr.prm
|
||||
%%PORTDOCS%%share/tinker/params/dudek.prm
|
||||
%%PORTDOCS%%share/tinker/params/hoch.prm
|
||||
%%PORTDOCS%%share/tinker/params/mm2.prm
|
||||
%%PORTDOCS%%share/tinker/params/mm3.prm
|
||||
|
|
@ -147,7 +155,6 @@ bin/xyzsybyl
|
|||
%%PORTDOCS%%share/tinker/params/oplsaa.prm
|
||||
%%PORTDOCS%%share/tinker/params/smooth.prm
|
||||
%%PORTDOCS%%share/tinker/params/smoothaa.prm
|
||||
%%PORTDOCS%%share/tinker/params/tinker.prm
|
||||
%%PORTDOCS%%share/tinker/params/water.prm
|
||||
%%PORTDOCS%%share/tinker/rasmol/rasmol.hlp
|
||||
%%PORTDOCS%%share/tinker/test/README
|
||||
|
|
@ -167,10 +174,8 @@ bin/xyzsybyl
|
|||
%%PORTDOCS%%share/tinker/test/bdna.seq
|
||||
%%PORTDOCS%%share/tinker/test/bdna.xyz
|
||||
%%PORTDOCS%%share/tinker/test/bearing.key
|
||||
%%PORTDOCS%%share/tinker/test/bearing.pdb
|
||||
%%PORTDOCS%%share/tinker/test/bearing.xyz
|
||||
%%PORTDOCS%%share/tinker/test/bearing2.key
|
||||
%%PORTDOCS%%share/tinker/test/bearing2.pdb
|
||||
%%PORTDOCS%%share/tinker/test/bearing2.xyz
|
||||
%%PORTDOCS%%share/tinker/test/benzene.int
|
||||
%%PORTDOCS%%share/tinker/test/benzene.key
|
||||
|
|
@ -212,10 +217,11 @@ bin/xyzsybyl
|
|||
%%PORTDOCS%%share/tinker/test/calmodulin.pdb
|
||||
%%PORTDOCS%%share/tinker/test/calmodulin.seq
|
||||
%%PORTDOCS%%share/tinker/test/calmodulin.xyz
|
||||
%%PORTDOCS%%share/tinker/test/copper.key
|
||||
%%PORTDOCS%%share/tinker/test/copper.xyz
|
||||
%%PORTDOCS%%share/tinker/test/cpentene.key
|
||||
%%PORTDOCS%%share/tinker/test/cpentene.xyz
|
||||
%%PORTDOCS%%share/tinker/test/crambin.key
|
||||
%%PORTDOCS%%share/tinker/test/crambin.min
|
||||
%%PORTDOCS%%share/tinker/test/crambin.pdb
|
||||
%%PORTDOCS%%share/tinker/test/crambin.seq
|
||||
%%PORTDOCS%%share/tinker/test/crambin.super
|
||||
|
|
@ -235,15 +241,15 @@ bin/xyzsybyl
|
|||
%%PORTDOCS%%share/tinker/test/cyclo2.int
|
||||
%%PORTDOCS%%share/tinker/test/cyclo2.key
|
||||
%%PORTDOCS%%share/tinker/test/cyclo2.xyz
|
||||
%%PORTDOCS%%share/tinker/test/dang.key
|
||||
%%PORTDOCS%%share/tinker/test/dang.xyz
|
||||
%%PORTDOCS%%share/tinker/test/diamond.key
|
||||
%%PORTDOCS%%share/tinker/test/diamond.xyz
|
||||
%%PORTDOCS%%share/tinker/test/diene.int
|
||||
%%PORTDOCS%%share/tinker/test/diene.key
|
||||
%%PORTDOCS%%share/tinker/test/diene.xyz
|
||||
%%PORTDOCS%%share/tinker/test/dimethane.key
|
||||
%%PORTDOCS%%share/tinker/test/dimethane.xyz
|
||||
%%PORTDOCS%%share/tinker/test/diwater.key
|
||||
%%PORTDOCS%%share/tinker/test/diwater.lin
|
||||
%%PORTDOCS%%share/tinker/test/diwater.min
|
||||
%%PORTDOCS%%share/tinker/test/diwater.xyz
|
||||
%%PORTDOCS%%share/tinker/test/enkephalin.int
|
||||
%%PORTDOCS%%share/tinker/test/enkephalin.key
|
||||
%%PORTDOCS%%share/tinker/test/enkephalin.make
|
||||
|
|
@ -277,8 +283,13 @@ bin/xyzsybyl
|
|||
%%PORTDOCS%%share/tinker/test/furan.xyz
|
||||
%%PORTDOCS%%share/tinker/test/glucose.key
|
||||
%%PORTDOCS%%share/tinker/test/glucose.xyz
|
||||
%%PORTDOCS%%share/tinker/test/graphite.key
|
||||
%%PORTDOCS%%share/tinker/test/graphite.xyz
|
||||
%%PORTDOCS%%share/tinker/test/helix.dyn
|
||||
%%PORTDOCS%%share/tinker/test/helix.key
|
||||
%%PORTDOCS%%share/tinker/test/helix.xyz
|
||||
%%PORTDOCS%%share/tinker/test/heme.key
|
||||
%%PORTDOCS%%share/tinker/test/heme.xyz
|
||||
%%PORTDOCS%%share/tinker/test/hexane.int
|
||||
%%PORTDOCS%%share/tinker/test/hexane.key
|
||||
%%PORTDOCS%%share/tinker/test/hexane.xyz
|
||||
|
|
@ -305,6 +316,7 @@ bin/xyzsybyl
|
|||
%%PORTDOCS%%share/tinker/test/methanol.xyz
|
||||
%%PORTDOCS%%share/tinker/test/nacl.key
|
||||
%%PORTDOCS%%share/tinker/test/nacl.xyz
|
||||
%%PORTDOCS%%share/tinker/test/naphthalene.int
|
||||
%%PORTDOCS%%share/tinker/test/naphthalene.key
|
||||
%%PORTDOCS%%share/tinker/test/naphthalene.xyz
|
||||
%%PORTDOCS%%share/tinker/test/nma.int
|
||||
|
|
@ -324,21 +336,17 @@ bin/xyzsybyl
|
|||
%%PORTDOCS%%share/tinker/test/octane2.xyz
|
||||
%%PORTDOCS%%share/tinker/test/octene.key
|
||||
%%PORTDOCS%%share/tinker/test/octene.xyz
|
||||
%%PORTDOCS%%share/tinker/test/palmitate.int
|
||||
%%PORTDOCS%%share/tinker/test/palmitate.key
|
||||
%%PORTDOCS%%share/tinker/test/palmitate.xyz
|
||||
%%PORTDOCS%%share/tinker/test/peptide.int
|
||||
%%PORTDOCS%%share/tinker/test/peptide.key
|
||||
%%PORTDOCS%%share/tinker/test/peptide.make
|
||||
%%PORTDOCS%%share/tinker/test/peptide.min
|
||||
%%PORTDOCS%%share/tinker/test/peptide.pdb
|
||||
%%PORTDOCS%%share/tinker/test/peptide.seq
|
||||
%%PORTDOCS%%share/tinker/test/peptide.xyz
|
||||
%%PORTDOCS%%share/tinker/test/phenanth.key
|
||||
%%PORTDOCS%%share/tinker/test/phenanth.xyz
|
||||
%%PORTDOCS%%share/tinker/test/photo.key
|
||||
%%PORTDOCS%%share/tinker/test/photo.pdb
|
||||
%%PORTDOCS%%share/tinker/test/photo.seq
|
||||
%%PORTDOCS%%share/tinker/test/photo.xyz
|
||||
%%PORTDOCS%%share/tinker/test/propane.key
|
||||
%%PORTDOCS%%share/tinker/test/propane.ray
|
||||
%%PORTDOCS%%share/tinker/test/propane.xyz
|
||||
|
|
@ -369,6 +377,10 @@ bin/xyzsybyl
|
|||
%%PORTDOCS%%share/tinker/test/thr.int
|
||||
%%PORTDOCS%%share/tinker/test/thr.key
|
||||
%%PORTDOCS%%share/tinker/test/thr.xyz
|
||||
%%PORTDOCS%%share/tinker/test/tip3p.key
|
||||
%%PORTDOCS%%share/tinker/test/tip3p.xyz
|
||||
%%PORTDOCS%%share/tinker/test/tip4p.key
|
||||
%%PORTDOCS%%share/tinker/test/tip4p.xyz
|
||||
%%PORTDOCS%%share/tinker/test/tip5p.key
|
||||
%%PORTDOCS%%share/tinker/test/tip5p.xyz
|
||||
%%PORTDOCS%%share/tinker/test/water.int
|
||||
|
|
|
|||
Loading…
Reference in a new issue