From 5c6705c3ff1f892e9a4399318f3f19b076f1ced6 Mon Sep 17 00:00:00 2001 From: Ying-Chieh Liao Date: Wed, 24 Jan 2001 17:58:44 +0000 Subject: update from 3.7 to 3.8 PR: 24371 Submitted by: MAINTAINER --- biology/tinker/pkg-plist | 163 ++++++++++++++++++++++++++++++----------------- 1 file changed, 106 insertions(+), 57 deletions(-) (limited to 'biology/tinker/pkg-plist') diff --git a/biology/tinker/pkg-plist b/biology/tinker/pkg-plist index 012299f88e88..880a1d1110ce 100644 --- a/biology/tinker/pkg-plist +++ b/biology/tinker/pkg-plist @@ -4,6 +4,7 @@ bin/anneal bin/archive bin/correlate bin/crystal +bin/diffuse bin/distgeom bin/document bin/dynamic @@ -12,8 +13,10 @@ bin/intedit bin/intxyz bin/minimize bin/minirot +bin/minrigid bin/newton bin/newtrot +bin/nucleic bin/optimize bin/optirot bin/optrigid @@ -23,10 +26,12 @@ bin/protein bin/pss bin/pssrigid bin/pssrot +bin/radial bin/saddle bin/scan bin/sniffer bin/spacefill +bin/spectrum bin/superpose bin/sybylxyz bin/testgrad @@ -43,95 +48,92 @@ bin/xyzedit bin/xyzint bin/xyzpdb bin/xyzsybyl -share/tinker/bench/crambin.input -share/tinker/bench/crambin.key -share/tinker/bench/crambin.run -share/tinker/bench/crambin.xyz -share/tinker/bench/crystal.input -share/tinker/bench/crystal.key -share/tinker/bench/crystal.run -share/tinker/bench/crystal.xyz -share/tinker/bench/results-2.3 -share/tinker/bench/results-2.4 -share/tinker/bench/results-2.9 -share/tinker/bench/results-3.1 -share/tinker/bench/results-3.2 -share/tinker/bench/results-3.4 -share/tinker/bench/results-3.5 -share/tinker/bench/results-3.7 -share/tinker/bench/water.dyn0 -share/tinker/bench/water.input -share/tinker/bench/water.key -share/tinker/bench/water.run -share/tinker/bench/water.xyz share/doc/tinker/README +share/doc/tinker/announce.txt share/doc/tinker/guide.pdf -share/doc/tinker/guide.ps.Z +share/doc/tinker/guide.ps.gz share/doc/tinker/guide.txt share/doc/tinker/license.pdf -share/doc/tinker/license.ps.Z +share/doc/tinker/license.ps share/doc/tinker/license.txt -share/doc/tinker/logo.ps.Z -share/doc/tinker/spine.ps +share/doc/tinker/logo.pdf +share/doc/tinker/logo.ps.gz share/doc/tinker/summary.pdf share/doc/tinker/summary.ps share/doc/tinker/summary.txt share/examples/tinker/README +share/examples/tinker/anion.dat share/examples/tinker/anion.dyn0 -share/examples/tinker/anion.in1 -share/examples/tinker/anion.in2 share/examples/tinker/anion.key share/examples/tinker/anion.log share/examples/tinker/anion.run share/examples/tinker/anion.xyz share/examples/tinker/argon.1st -share/examples/tinker/argon.in1 -share/examples/tinker/argon.in2 share/examples/tinker/argon.key share/examples/tinker/argon.log share/examples/tinker/argon.run share/examples/tinker/clean.make -share/examples/tinker/cluster.in1 +share/examples/tinker/cluster.dat share/examples/tinker/cluster.key share/examples/tinker/cluster.log share/examples/tinker/cluster.run share/examples/tinker/cluster.xyz -share/examples/tinker/crambin.in1 -share/examples/tinker/crambin.in2 -share/examples/tinker/crambin.in3 share/examples/tinker/crambin.key share/examples/tinker/crambin.log share/examples/tinker/crambin.pdb share/examples/tinker/crambin.run share/examples/tinker/cyclohex.boat share/examples/tinker/cyclohex.chair -share/examples/tinker/cyclohex.in1 -share/examples/tinker/cyclohex.in2 -share/examples/tinker/cyclohex.in3 share/examples/tinker/cyclohex.key share/examples/tinker/cyclohex.log share/examples/tinker/cyclohex.run -share/examples/tinker/enkephalin.in1 -share/examples/tinker/enkephalin.in2 -share/examples/tinker/enkephalin.in3 +share/examples/tinker/enkephalin.dat share/examples/tinker/enkephalin.key share/examples/tinker/enkephalin.log share/examples/tinker/enkephalin.run share/examples/tinker/formamide.cell -share/examples/tinker/formamide.in1 -share/examples/tinker/formamide.in2 -share/examples/tinker/formamide.in3 -share/examples/tinker/formamide.in4 +share/examples/tinker/formamide.dat share/examples/tinker/formamide.key share/examples/tinker/formamide.log share/examples/tinker/formamide.run -share/examples/tinker/helix.in1 +share/examples/tinker/helix.1st share/examples/tinker/helix.key share/examples/tinker/helix.log share/examples/tinker/helix.run -share/examples/tinker/helix.xyz +share/examples/tinker/salt.cell +share/examples/tinker/salt.key +share/examples/tinker/salt.log +share/examples/tinker/salt.run +share/tinker/bench/bench-1.key +share/tinker/bench/bench-1.run +share/tinker/bench/bench-1.xyz +share/tinker/bench/bench-2.key +share/tinker/bench/bench-2.run +share/tinker/bench/bench-2.xyz +share/tinker/bench/bench-3.key +share/tinker/bench/bench-3.run +share/tinker/bench/bench-3.xyz +share/tinker/bench/bench-4.dyn0 +share/tinker/bench/bench-4.key +share/tinker/bench/bench-4.log +share/tinker/bench/bench-4.run +share/tinker/bench/bench-4.xyz +share/tinker/bench/bench-5.dyn0 +share/tinker/bench/bench-5.key +share/tinker/bench/bench-5.run +share/tinker/bench/bench-5.xyz +share/tinker/bench/results-2.3 +share/tinker/bench/results-2.4 +share/tinker/bench/results-2.9 +share/tinker/bench/results-3.1 +share/tinker/bench/results-3.2 +share/tinker/bench/results-3.4 +share/tinker/bench/results-3.5 +share/tinker/bench/results-3.7 +share/tinker/bench/results-3.8 share/tinker/params/README share/tinker/params/amber.prm +share/tinker/params/amberN.prm share/tinker/params/charmm.prm share/tinker/params/emr.prm share/tinker/params/hoch.prm @@ -147,19 +149,18 @@ share/tinker/params/water.prm share/tinker/test/README share/tinker/test/ala20.key share/tinker/test/ala20.xyz -share/tinker/test/annulene.int -share/tinker/test/annulene.key -share/tinker/test/annulene.xyz -share/tinker/test/annulene2.key -share/tinker/test/annulene2.xyz -share/tinker/test/annulene3.key -share/tinker/test/annulene3.xyz +share/tinker/test/alkane.key +share/tinker/test/alkane.xyz share/tinker/test/arach.int share/tinker/test/arach.key share/tinker/test/arach.xyz share/tinker/test/azulene.int share/tinker/test/azulene.key share/tinker/test/azulene.xyz +share/tinker/test/bdna.int +share/tinker/test/bdna.key +share/tinker/test/bdna.seq +share/tinker/test/bdna.xyz share/tinker/test/bearing.key share/tinker/test/bearing.pdb share/tinker/test/bearing.xyz @@ -169,6 +170,13 @@ share/tinker/test/bearing2.xyz share/tinker/test/benzene.int share/tinker/test/benzene.key share/tinker/test/benzene.xyz +share/tinker/test/bowl.int +share/tinker/test/bowl.key +share/tinker/test/bowl.xyz +share/tinker/test/bowl2.key +share/tinker/test/bowl2.xyz +share/tinker/test/bowl3.key +share/tinker/test/bowl3.xyz share/tinker/test/butane.int share/tinker/test/butane.key share/tinker/test/butane.xyz @@ -195,13 +203,20 @@ share/tinker/test/c7ax.xyz share/tinker/test/c7eq.key share/tinker/test/c7eq.seq share/tinker/test/c7eq.xyz +share/tinker/test/calmodulin.key +share/tinker/test/calmodulin.pdb +share/tinker/test/calmodulin.seq +share/tinker/test/calmodulin.xyz share/tinker/test/cpentene.key share/tinker/test/cpentene.xyz share/tinker/test/crambin.key +share/tinker/test/crambin.min share/tinker/test/crambin.pdb share/tinker/test/crambin.seq +share/tinker/test/crambin.super share/tinker/test/crambin.xyz share/tinker/test/crambinx.key +share/tinker/test/crambinx.ray share/tinker/test/crambinx.xyz share/tinker/test/crown.int share/tinker/test/crown.key @@ -221,12 +236,12 @@ share/tinker/test/diene.xyz share/tinker/test/dimethane.key share/tinker/test/dimethane.xyz share/tinker/test/diwater.key +share/tinker/test/diwater.lin +share/tinker/test/diwater.min share/tinker/test/diwater.xyz share/tinker/test/enkephalin.int share/tinker/test/enkephalin.key share/tinker/test/enkephalin.make -share/tinker/test/enkephalin.pdb -share/tinker/test/enkephalin.run share/tinker/test/enkephalin.seq share/tinker/test/enkephalin.xyz share/tinker/test/ermer.int @@ -237,14 +252,21 @@ share/tinker/test/ester.xyz share/tinker/test/ethane.int share/tinker/test/ethane.key share/tinker/test/ethane.xyz +share/tinker/test/ethanol.int +share/tinker/test/ethanol.key +share/tinker/test/ethanol.xyz share/tinker/test/ethylene.int share/tinker/test/ethylene.key share/tinker/test/ethylene.xyz share/tinker/test/flane.int share/tinker/test/flane.key share/tinker/test/flane.xyz -share/tinker/test/formamide.key -share/tinker/test/formamide.xyz +share/tinker/test/form.key +share/tinker/test/form.xyz +share/tinker/test/formbig.key +share/tinker/test/formbig.xyz +share/tinker/test/formbox.key +share/tinker/test/formbox.xyz share/tinker/test/furan.int share/tinker/test/furan.key share/tinker/test/furan.xyz @@ -252,6 +274,13 @@ share/tinker/test/glucose.key share/tinker/test/glucose.xyz share/tinker/test/helix.key share/tinker/test/helix.xyz +share/tinker/test/hexane.int +share/tinker/test/hexane.key +share/tinker/test/hexane.xyz +share/tinker/test/hexanes.dyn +share/tinker/test/hexanes.key +share/tinker/test/hexanes.run +share/tinker/test/hexanes.xyz share/tinker/test/imidazole.int share/tinker/test/imidazole.key share/tinker/test/imidazole.xyz @@ -260,11 +289,19 @@ share/tinker/test/imine.key share/tinker/test/imine.xyz share/tinker/test/lactam.key share/tinker/test/lactam.xyz +share/tinker/test/melittin.key +share/tinker/test/melittin.pdb +share/tinker/test/melittin.seq +share/tinker/test/melittin.xyz share/tinker/test/methane.int share/tinker/test/methane.key share/tinker/test/methane.xyz share/tinker/test/methanol.key share/tinker/test/methanol.xyz +share/tinker/test/nacl.key +share/tinker/test/nacl.xyz +share/tinker/test/naphthalene.key +share/tinker/test/naphthalene.xyz share/tinker/test/nma.int share/tinker/test/nma.key share/tinker/test/nma.xyz @@ -287,14 +324,24 @@ share/tinker/test/palmitate.xyz share/tinker/test/peptide.int share/tinker/test/peptide.key share/tinker/test/peptide.make +share/tinker/test/peptide.min share/tinker/test/peptide.pdb share/tinker/test/peptide.seq share/tinker/test/peptide.xyz share/tinker/test/phenanth.key share/tinker/test/phenanth.xyz +share/tinker/test/photo.key +share/tinker/test/photo.pdb +share/tinker/test/photo.seq +share/tinker/test/photo.xyz +share/tinker/test/propane.key +share/tinker/test/propane.ray +share/tinker/test/propane.xyz share/tinker/test/propellane.int share/tinker/test/propellane.key share/tinker/test/propellane.xyz +share/tinker/test/propyne.key +share/tinker/test/propyne.xyz share/tinker/test/pyridine.int share/tinker/test/pyridine.key share/tinker/test/pyridine.xyz @@ -317,6 +364,8 @@ share/tinker/test/thiophene.xyz share/tinker/test/thr.int share/tinker/test/thr.key share/tinker/test/thr.xyz +share/tinker/test/tip5p.key +share/tinker/test/tip5p.xyz share/tinker/test/water.int share/tinker/test/water.key share/tinker/test/water.xyz @@ -337,9 +386,9 @@ share/tinker/test/white.int share/tinker/test/white.key share/tinker/test/white.xyz share/tinker/tinker.txt -@dirrm share/tinker/bench @dirrm share/doc/tinker @dirrm share/examples/tinker +@dirrm share/tinker/bench @dirrm share/tinker/params @dirrm share/tinker/test @dirrm share/tinker -- cgit v1.2.3