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-rw-r--r--biology/tinker/pkg-plist697
1 files changed, 352 insertions, 345 deletions
diff --git a/biology/tinker/pkg-plist b/biology/tinker/pkg-plist
index b7d3ffb..f9e728d 100644
--- a/biology/tinker/pkg-plist
+++ b/biology/tinker/pkg-plist
@@ -24,6 +24,7 @@ bin/optrigid
bin/path
bin/pdbxyz
bin/polarize
+bin/prmedit
bin/protein
bin/pss
bin/pssrigid
@@ -55,6 +56,7 @@ bin/xyzint
bin/xyzpdb
bin/xyzsybyl
%%PORTDOCS%%%%DOCSDIR%%/README
+%%PORTDOCS%%%%DOCSDIR%%/ffe-guide.pdf
%%PORTDOCS%%%%DOCSDIR%%/guide.pdf
%%PORTDOCS%%%%DOCSDIR%%/guide.txt
%%PORTDOCS%%%%DOCSDIR%%/license.pdf
@@ -66,6 +68,7 @@ bin/xyzsybyl
%%PORTDOCS%%%%DOCSDIR%%/release-3.9
%%PORTDOCS%%%%DOCSDIR%%/release-4.0
%%PORTDOCS%%%%DOCSDIR%%/release-4.1
+%%PORTDOCS%%%%DOCSDIR%%/release-4.2
%%PORTDOCS%%%%DOCSDIR%%/summary.pdf
%%PORTDOCS%%%%DOCSDIR%%/summary.txt
%%PORTDOCS%%share/examples/tinker/README
@@ -115,350 +118,354 @@ bin/xyzsybyl
%%PORTDOCS%%share/examples/tinker/salt.key
%%PORTDOCS%%share/examples/tinker/salt.log
%%PORTDOCS%%share/examples/tinker/salt.run
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-%%PORTDOCS%%share/tinker/bench/results-2.3
-%%PORTDOCS%%share/tinker/bench/results-2.4
-%%PORTDOCS%%share/tinker/bench/results-2.9
-%%PORTDOCS%%share/tinker/bench/results-3.1
-%%PORTDOCS%%share/tinker/bench/results-3.2
-%%PORTDOCS%%share/tinker/bench/results-3.4
-%%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/bench/results-4.0
-%%PORTDOCS%%share/tinker/bench/results-4.1
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+%%PORTDOCS%%%%DATADIR%%/test/arach.xyz
+%%PORTDOCS%%%%DATADIR%%/test/azulene.int
+%%PORTDOCS%%%%DATADIR%%/test/azulene.key
+%%PORTDOCS%%%%DATADIR%%/test/azulene.xyz
+%%PORTDOCS%%%%DATADIR%%/test/bdna.int
+%%PORTDOCS%%%%DATADIR%%/test/bdna.key
+%%PORTDOCS%%%%DATADIR%%/test/bdna.make
+%%PORTDOCS%%%%DATADIR%%/test/bdna.seq
+%%PORTDOCS%%%%DATADIR%%/test/bdna.xyz
+%%PORTDOCS%%%%DATADIR%%/test/bearing.key
+%%PORTDOCS%%%%DATADIR%%/test/bearing.xyz
+%%PORTDOCS%%%%DATADIR%%/test/bearing2.key
+%%PORTDOCS%%%%DATADIR%%/test/bearing2.xyz
+%%PORTDOCS%%%%DATADIR%%/test/benzene.int
+%%PORTDOCS%%%%DATADIR%%/test/benzene.key
+%%PORTDOCS%%%%DATADIR%%/test/benzene.xyz
+%%PORTDOCS%%%%DATADIR%%/test/bowl.int
+%%PORTDOCS%%%%DATADIR%%/test/bowl.key
+%%PORTDOCS%%%%DATADIR%%/test/bowl.xyz
+%%PORTDOCS%%%%DATADIR%%/test/bowl2.key
+%%PORTDOCS%%%%DATADIR%%/test/bowl2.xyz
+%%PORTDOCS%%%%DATADIR%%/test/bowl3.key
+%%PORTDOCS%%%%DATADIR%%/test/bowl3.xyz
+%%PORTDOCS%%%%DATADIR%%/test/bucky.int
+%%PORTDOCS%%%%DATADIR%%/test/bucky.key
+%%PORTDOCS%%%%DATADIR%%/test/bucky.xyz
+%%PORTDOCS%%%%DATADIR%%/test/butane.int
+%%PORTDOCS%%%%DATADIR%%/test/butane.key
+%%PORTDOCS%%%%DATADIR%%/test/butane.xyz
+%%PORTDOCS%%%%DATADIR%%/test/butane2.int
+%%PORTDOCS%%%%DATADIR%%/test/butane2.key
+%%PORTDOCS%%%%DATADIR%%/test/butane2.xyz
+%%PORTDOCS%%%%DATADIR%%/test/butanes.dyn
+%%PORTDOCS%%%%DATADIR%%/test/butanes.key
+%%PORTDOCS%%%%DATADIR%%/test/butanes.xyz
+%%PORTDOCS%%%%DATADIR%%/test/butanex.key
+%%PORTDOCS%%%%DATADIR%%/test/butanex.xyz
+%%PORTDOCS%%%%DATADIR%%/test/butopls.int
+%%PORTDOCS%%%%DATADIR%%/test/butopls.key
+%%PORTDOCS%%%%DATADIR%%/test/butopls.xyz
+%%PORTDOCS%%%%DATADIR%%/test/butopls2.int
+%%PORTDOCS%%%%DATADIR%%/test/butopls2.key
+%%PORTDOCS%%%%DATADIR%%/test/butopls2.xyz
+%%PORTDOCS%%%%DATADIR%%/test/c5.key
+%%PORTDOCS%%%%DATADIR%%/test/c5.seq
+%%PORTDOCS%%%%DATADIR%%/test/c5.xyz
+%%PORTDOCS%%%%DATADIR%%/test/c7a.key
+%%PORTDOCS%%%%DATADIR%%/test/c7a.seq
+%%PORTDOCS%%%%DATADIR%%/test/c7a.xyz
+%%PORTDOCS%%%%DATADIR%%/test/c7e.key
+%%PORTDOCS%%%%DATADIR%%/test/c7e.seq
+%%PORTDOCS%%%%DATADIR%%/test/c7e.xyz
+%%PORTDOCS%%%%DATADIR%%/test/calmodulin.key
+%%PORTDOCS%%%%DATADIR%%/test/calmodulin.pdb
+%%PORTDOCS%%%%DATADIR%%/test/calmodulin.seq
+%%PORTDOCS%%%%DATADIR%%/test/calmodulin.xyz
+%%PORTDOCS%%%%DATADIR%%/test/copper.key
+%%PORTDOCS%%%%DATADIR%%/test/copper.xyz
+%%PORTDOCS%%%%DATADIR%%/test/cpentene.key
+%%PORTDOCS%%%%DATADIR%%/test/cpentene.xyz
+%%PORTDOCS%%%%DATADIR%%/test/crambin.key
+%%PORTDOCS%%%%DATADIR%%/test/crambin.pdb
+%%PORTDOCS%%%%DATADIR%%/test/crambin.seq
+%%PORTDOCS%%%%DATADIR%%/test/crambin.xyz
+%%PORTDOCS%%%%DATADIR%%/test/crambinx.key
+%%PORTDOCS%%%%DATADIR%%/test/crambinx.ray
+%%PORTDOCS%%%%DATADIR%%/test/crambinx.xyz
+%%PORTDOCS%%%%DATADIR%%/test/crown.int
+%%PORTDOCS%%%%DATADIR%%/test/crown.key
+%%PORTDOCS%%%%DATADIR%%/test/crown.xyz
+%%PORTDOCS%%%%DATADIR%%/test/cychept.int
+%%PORTDOCS%%%%DATADIR%%/test/cychept.key
+%%PORTDOCS%%%%DATADIR%%/test/cychept.xyz
+%%PORTDOCS%%%%DATADIR%%/test/cyclo.int
+%%PORTDOCS%%%%DATADIR%%/test/cyclo.key
+%%PORTDOCS%%%%DATADIR%%/test/cyclo.xyz
+%%PORTDOCS%%%%DATADIR%%/test/cyclo2.int
+%%PORTDOCS%%%%DATADIR%%/test/cyclo2.key
+%%PORTDOCS%%%%DATADIR%%/test/cyclo2.xyz
+%%PORTDOCS%%%%DATADIR%%/test/dang.key
+%%PORTDOCS%%%%DATADIR%%/test/dang.xyz
+%%PORTDOCS%%%%DATADIR%%/test/diamond.key
+%%PORTDOCS%%%%DATADIR%%/test/diamond.xyz
+%%PORTDOCS%%%%DATADIR%%/test/diene.int
+%%PORTDOCS%%%%DATADIR%%/test/diene.key
+%%PORTDOCS%%%%DATADIR%%/test/diene.xyz
+%%PORTDOCS%%%%DATADIR%%/test/dimethane.key
+%%PORTDOCS%%%%DATADIR%%/test/dimethane.xyz
+%%PORTDOCS%%%%DATADIR%%/test/enkephalin.int
+%%PORTDOCS%%%%DATADIR%%/test/enkephalin.key
+%%PORTDOCS%%%%DATADIR%%/test/enkephalin.make
+%%PORTDOCS%%%%DATADIR%%/test/enkephalin.seq
+%%PORTDOCS%%%%DATADIR%%/test/enkephalin.xyz
+%%PORTDOCS%%%%DATADIR%%/test/ermer.int
+%%PORTDOCS%%%%DATADIR%%/test/ermer.key
+%%PORTDOCS%%%%DATADIR%%/test/ermer.xyz
+%%PORTDOCS%%%%DATADIR%%/test/ester.key
+%%PORTDOCS%%%%DATADIR%%/test/ester.xyz
+%%PORTDOCS%%%%DATADIR%%/test/ethane.int
+%%PORTDOCS%%%%DATADIR%%/test/ethane.key
+%%PORTDOCS%%%%DATADIR%%/test/ethane.xyz
+%%PORTDOCS%%%%DATADIR%%/test/ethanol.int
+%%PORTDOCS%%%%DATADIR%%/test/ethanol.key
+%%PORTDOCS%%%%DATADIR%%/test/ethanol.xyz
+%%PORTDOCS%%%%DATADIR%%/test/ethylene.int
+%%PORTDOCS%%%%DATADIR%%/test/ethylene.key
+%%PORTDOCS%%%%DATADIR%%/test/ethylene.xyz
+%%PORTDOCS%%%%DATADIR%%/test/flane.int
+%%PORTDOCS%%%%DATADIR%%/test/flane.key
+%%PORTDOCS%%%%DATADIR%%/test/flane.xyz
+%%PORTDOCS%%%%DATADIR%%/test/form.key
+%%PORTDOCS%%%%DATADIR%%/test/form.xyz
+%%PORTDOCS%%%%DATADIR%%/test/formbig.key
+%%PORTDOCS%%%%DATADIR%%/test/formbig.xyz
+%%PORTDOCS%%%%DATADIR%%/test/formbox.dyn
+%%PORTDOCS%%%%DATADIR%%/test/formbox.key
+%%PORTDOCS%%%%DATADIR%%/test/formbox.xyz
+%%PORTDOCS%%%%DATADIR%%/test/furan.int
+%%PORTDOCS%%%%DATADIR%%/test/furan.key
+%%PORTDOCS%%%%DATADIR%%/test/furan.xyz
+%%PORTDOCS%%%%DATADIR%%/test/glucose.key
+%%PORTDOCS%%%%DATADIR%%/test/glucose.xyz
+%%PORTDOCS%%%%DATADIR%%/test/glycerol.dyn
+%%PORTDOCS%%%%DATADIR%%/test/glycerol.key
+%%PORTDOCS%%%%DATADIR%%/test/glycerol.xyz
+%%PORTDOCS%%%%DATADIR%%/test/graphite.key
+%%PORTDOCS%%%%DATADIR%%/test/graphite.xyz
+%%PORTDOCS%%%%DATADIR%%/test/helix.dyn
+%%PORTDOCS%%%%DATADIR%%/test/helix.key
+%%PORTDOCS%%%%DATADIR%%/test/helix.xyz
+%%PORTDOCS%%%%DATADIR%%/test/heme.key
+%%PORTDOCS%%%%DATADIR%%/test/heme.xyz
+%%PORTDOCS%%%%DATADIR%%/test/hexane.int
+%%PORTDOCS%%%%DATADIR%%/test/hexane.key
+%%PORTDOCS%%%%DATADIR%%/test/hexane.xyz
+%%PORTDOCS%%%%DATADIR%%/test/hexanes.dyn
+%%PORTDOCS%%%%DATADIR%%/test/hexanes.key
+%%PORTDOCS%%%%DATADIR%%/test/hexanes.xyz
+%%PORTDOCS%%%%DATADIR%%/test/imidazole.int
+%%PORTDOCS%%%%DATADIR%%/test/imidazole.key
+%%PORTDOCS%%%%DATADIR%%/test/imidazole.xyz
+%%PORTDOCS%%%%DATADIR%%/test/imine.int
+%%PORTDOCS%%%%DATADIR%%/test/imine.key
+%%PORTDOCS%%%%DATADIR%%/test/imine.xyz
+%%PORTDOCS%%%%DATADIR%%/test/lactam.key
+%%PORTDOCS%%%%DATADIR%%/test/lactam.xyz
+%%PORTDOCS%%%%DATADIR%%/test/lipid.key
+%%PORTDOCS%%%%DATADIR%%/test/lipid.xyz
+%%PORTDOCS%%%%DATADIR%%/test/melittin.key
+%%PORTDOCS%%%%DATADIR%%/test/melittin.pdb
+%%PORTDOCS%%%%DATADIR%%/test/melittin.seq
+%%PORTDOCS%%%%DATADIR%%/test/melittin.xyz
+%%PORTDOCS%%%%DATADIR%%/test/membrane.key
+%%PORTDOCS%%%%DATADIR%%/test/membrane.xyz
+%%PORTDOCS%%%%DATADIR%%/test/methane.int
+%%PORTDOCS%%%%DATADIR%%/test/methane.key
+%%PORTDOCS%%%%DATADIR%%/test/methane.xyz
+%%PORTDOCS%%%%DATADIR%%/test/methanol.key
+%%PORTDOCS%%%%DATADIR%%/test/methanol.xyz
+%%PORTDOCS%%%%DATADIR%%/test/mm3.key
+%%PORTDOCS%%%%DATADIR%%/test/mm3.xyz
+%%PORTDOCS%%%%DATADIR%%/test/nacl.key
+%%PORTDOCS%%%%DATADIR%%/test/nacl.xyz
+%%PORTDOCS%%%%DATADIR%%/test/nada.key
+%%PORTDOCS%%%%DATADIR%%/test/nada.xyz
+%%PORTDOCS%%%%DATADIR%%/test/naphthalene.int
+%%PORTDOCS%%%%DATADIR%%/test/naphthalene.key
+%%PORTDOCS%%%%DATADIR%%/test/naphthalene.xyz
+%%PORTDOCS%%%%DATADIR%%/test/nitrogen.dyn
+%%PORTDOCS%%%%DATADIR%%/test/nitrogen.key
+%%PORTDOCS%%%%DATADIR%%/test/nitrogen.xyz
+%%PORTDOCS%%%%DATADIR%%/test/nma.int
+%%PORTDOCS%%%%DATADIR%%/test/nma.key
+%%PORTDOCS%%%%DATADIR%%/test/nma.xyz
+%%PORTDOCS%%%%DATADIR%%/test/nmabox.dyn
+%%PORTDOCS%%%%DATADIR%%/test/nmabox.key
+%%PORTDOCS%%%%DATADIR%%/test/nmabox.xyz
+%%PORTDOCS%%%%DATADIR%%/test/nstilbene.int
+%%PORTDOCS%%%%DATADIR%%/test/nstilbene.key
+%%PORTDOCS%%%%DATADIR%%/test/nstilbene.xyz
+%%PORTDOCS%%%%DATADIR%%/test/octane.int
+%%PORTDOCS%%%%DATADIR%%/test/octane.key
+%%PORTDOCS%%%%DATADIR%%/test/octane.xyz
+%%PORTDOCS%%%%DATADIR%%/test/octane2.int
+%%PORTDOCS%%%%DATADIR%%/test/octane2.key
+%%PORTDOCS%%%%DATADIR%%/test/octane2.xyz
+%%PORTDOCS%%%%DATADIR%%/test/octene.key
+%%PORTDOCS%%%%DATADIR%%/test/octene.xyz
+%%PORTDOCS%%%%DATADIR%%/test/palmitate.int
+%%PORTDOCS%%%%DATADIR%%/test/palmitate.key
+%%PORTDOCS%%%%DATADIR%%/test/palmitate.xyz
+%%PORTDOCS%%%%DATADIR%%/test/peptide.int
+%%PORTDOCS%%%%DATADIR%%/test/peptide.key
+%%PORTDOCS%%%%DATADIR%%/test/peptide.make
+%%PORTDOCS%%%%DATADIR%%/test/peptide.pdb
+%%PORTDOCS%%%%DATADIR%%/test/peptide.seq
+%%PORTDOCS%%%%DATADIR%%/test/peptide.xyz
+%%PORTDOCS%%%%DATADIR%%/test/phenanth.key
+%%PORTDOCS%%%%DATADIR%%/test/phenanth.xyz
+%%PORTDOCS%%%%DATADIR%%/test/photo.key
+%%PORTDOCS%%%%DATADIR%%/test/photo.pdb
+%%PORTDOCS%%%%DATADIR%%/test/photo.seq
+%%PORTDOCS%%%%DATADIR%%/test/photo.xyz
+%%PORTDOCS%%%%DATADIR%%/test/pol3.key
+%%PORTDOCS%%%%DATADIR%%/test/pol3.xyz
+%%PORTDOCS%%%%DATADIR%%/test/polyala.key
+%%PORTDOCS%%%%DATADIR%%/test/polyala.xyz
+%%PORTDOCS%%%%DATADIR%%/test/propane.key
+%%PORTDOCS%%%%DATADIR%%/test/propane.ray
+%%PORTDOCS%%%%DATADIR%%/test/propane.xyz
+%%PORTDOCS%%%%DATADIR%%/test/propellane.int
+%%PORTDOCS%%%%DATADIR%%/test/propellane.key
+%%PORTDOCS%%%%DATADIR%%/test/propellane.xyz
+%%PORTDOCS%%%%DATADIR%%/test/propyne.key
+%%PORTDOCS%%%%DATADIR%%/test/propyne.xyz
+%%PORTDOCS%%%%DATADIR%%/test/pyridine.int
+%%PORTDOCS%%%%DATADIR%%/test/pyridine.key
+%%PORTDOCS%%%%DATADIR%%/test/pyridine.xyz
+%%PORTDOCS%%%%DATADIR%%/test/pyrrole.int
+%%PORTDOCS%%%%DATADIR%%/test/pyrrole.key
+%%PORTDOCS%%%%DATADIR%%/test/pyrrole.xyz
+%%PORTDOCS%%%%DATADIR%%/test/retinoic.key
+%%PORTDOCS%%%%DATADIR%%/test/retinoic.xyz
+%%PORTDOCS%%%%DATADIR%%/test/skunk.key
+%%PORTDOCS%%%%DATADIR%%/test/skunk.xyz
+%%PORTDOCS%%%%DATADIR%%/test/spc.key
+%%PORTDOCS%%%%DATADIR%%/test/spc.xyz
+%%PORTDOCS%%%%DATADIR%%/test/sterol.key
+%%PORTDOCS%%%%DATADIR%%/test/sterol.xyz
+%%PORTDOCS%%%%DATADIR%%/test/styrene.int
+%%PORTDOCS%%%%DATADIR%%/test/styrene.key
+%%PORTDOCS%%%%DATADIR%%/test/styrene.xyz
+%%PORTDOCS%%%%DATADIR%%/test/terphenyl.key
+%%PORTDOCS%%%%DATADIR%%/test/terphenyl.xyz
+%%PORTDOCS%%%%DATADIR%%/test/tfe.key
+%%PORTDOCS%%%%DATADIR%%/test/tfe.xyz
+%%PORTDOCS%%%%DATADIR%%/test/thiadiene.int
+%%PORTDOCS%%%%DATADIR%%/test/thiadiene.key
+%%PORTDOCS%%%%DATADIR%%/test/thiadiene.xyz
+%%PORTDOCS%%%%DATADIR%%/test/thiophene.int
+%%PORTDOCS%%%%DATADIR%%/test/thiophene.key
+%%PORTDOCS%%%%DATADIR%%/test/thiophene.xyz
+%%PORTDOCS%%%%DATADIR%%/test/thr.int
+%%PORTDOCS%%%%DATADIR%%/test/thr.key
+%%PORTDOCS%%%%DATADIR%%/test/thr.xyz
+%%PORTDOCS%%%%DATADIR%%/test/tip3f.key
+%%PORTDOCS%%%%DATADIR%%/test/tip3f.xyz
+%%PORTDOCS%%%%DATADIR%%/test/tip3p.key
+%%PORTDOCS%%%%DATADIR%%/test/tip3p.xyz
+%%PORTDOCS%%%%DATADIR%%/test/tip4f.key
+%%PORTDOCS%%%%DATADIR%%/test/tip4f.xyz
+%%PORTDOCS%%%%DATADIR%%/test/tip4p.key
+%%PORTDOCS%%%%DATADIR%%/test/tip4p.xyz
+%%PORTDOCS%%%%DATADIR%%/test/tip5p.key
+%%PORTDOCS%%%%DATADIR%%/test/tip5p.xyz
+%%PORTDOCS%%%%DATADIR%%/test/trpcage.key
+%%PORTDOCS%%%%DATADIR%%/test/trpcage.pdb
+%%PORTDOCS%%%%DATADIR%%/test/trpcage.seq
+%%PORTDOCS%%%%DATADIR%%/test/trpcage.xyz
+%%PORTDOCS%%%%DATADIR%%/test/water.int
+%%PORTDOCS%%%%DATADIR%%/test/water.key
+%%PORTDOCS%%%%DATADIR%%/test/water.xyz
+%%PORTDOCS%%%%DATADIR%%/test/waterbig.key
+%%PORTDOCS%%%%DATADIR%%/test/waterbig.xyz
+%%PORTDOCS%%%%DATADIR%%/test/waterbox.dyn
+%%PORTDOCS%%%%DATADIR%%/test/waterbox.key
+%%PORTDOCS%%%%DATADIR%%/test/waterbox.xyz
+%%PORTDOCS%%%%DATADIR%%/test/waterdot.dyn
+%%PORTDOCS%%%%DATADIR%%/test/waterdot.key
+%%PORTDOCS%%%%DATADIR%%/test/waterdot.xyz
+%%PORTDOCS%%%%DATADIR%%/test/waterhuge.key
+%%PORTDOCS%%%%DATADIR%%/test/waterhuge.xyz
+%%PORTDOCS%%%%DATADIR%%/test/watersmall.dyn
+%%PORTDOCS%%%%DATADIR%%/test/watersmall.key
+%%PORTDOCS%%%%DATADIR%%/test/watersmall.xyz
+%%PORTDOCS%%%%DATADIR%%/test/watertiny.dyn
+%%PORTDOCS%%%%DATADIR%%/test/watertiny.key
+%%PORTDOCS%%%%DATADIR%%/test/watertiny.xyz
+%%PORTDOCS%%%%DATADIR%%/test/white.int
+%%PORTDOCS%%%%DATADIR%%/test/white.key
+%%PORTDOCS%%%%DATADIR%%/test/white.xyz
+%%DATADIR%%/tinker.txt
%%PORTDOCS%%@dirrm %%DOCSDIR%%
%%PORTDOCS%%@dirrm share/examples/tinker
-%%PORTDOCS%%@dirrm share/tinker/bench
-@dirrm share/tinker/params
-%%WITH_VIEWER%%@dirrm share/tinker/rasmol
-%%PORTDOCS%%@dirrm share/tinker/test
-@dirrm share/tinker
+%%PORTDOCS%%@dirrm %%DATADIR%%/bench
+@dirrm %%DATADIR%%/params
+%%WITH_VIEWER%%@dirrm %%DATADIR%%/rasmol
+%%PORTDOCS%%@dirrm %%DATADIR%%/test
+@dirrm %%DATADIR%%
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