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New port: science/apbs: Electrostatic and solvation properties for complex molecules

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This commit is contained in:
Yuri Victorovich 2019-05-03 06:14:57 +00:00
parent 14e283358f
commit 1535bb293d
Notes: svn2git 2021-03-31 03:12:20 +00:00 
svn path=/head/; revision=500698
5 changed files with 773 additions and 0 deletions
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1
science/Makefile
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@ -26,6 +26,7 @@
SUBDIR += agrum
SUBDIR += aircraft-datcom
SUBDIR += antioch
SUBDIR += apbs
SUBDIR += atom
SUBDIR += atompaw
SUBDIR += avogadro2

34
science/apbs/Makefile Normal file
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@ -0,0 +1,34 @@
# $FreeBSD$
PORTNAME= apbs
DISTVERSIONPREFIX= ${PORTNAME}-
DISTVERSION= 1.5-102
DISTVERSIONSUFFIX= -g500c1473
CATEGORIES= science
MAINTAINER= yuri@FreeBSD.org
COMMENT= Electrostatic and solvation properties for complex molecules
LICENSE= LGPL21
xLICENSE_FILE= ${WRKSRC}/COPYING
USES= cmake shebangfix
SHEBANG_FILES= tools/github/getReleases.sh
USE_GITHUB= yes
GH_ACCOUNT= Electrostatics
GH_PROJECT= apbs-pdb2pqr
GH_TUPLE= Electrostatics:FETK:0c6fdea:fetk/externals/fetk \
Electrostatics:geoflow_c:e8ce510:geoflow_c/externals/geoflow_c \
lwwilson1:TABIPB:7e3a407:bem/externals/bem \
lwwilson1:mesh_routines:ddb75cb:mr/externals/mesh_routines \
davas301:pb_solvers:4858465:ps/externals/pb_s_am
USE_LDCONFIG= yes
CMAKE_ON= BUILD_SHARED_LIBS
WRKSRC_SUBDIR= ${PORTNAME}
post-stage: # https://github.com/Electrostatics/apbs-pdb2pqr/issues/522
@${STRIP_CMD} ${STAGEDIR}${PREFIX}/share/apbs/tools/bin/*
.include <bsd.port.mk>

13
science/apbs/distinfo Normal file
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@ -0,0 +1,13 @@
TIMESTAMP = 1556863311
SHA256 (Electrostatics-apbs-pdb2pqr-apbs-1.5-102-g500c1473_GH0.tar.gz) = 873dae1df4d271b2e433283544e9cadb81d0b06347c6ef387370dd570640fc6a
SIZE (Electrostatics-apbs-pdb2pqr-apbs-1.5-102-g500c1473_GH0.tar.gz) = 113071316
SHA256 (Electrostatics-FETK-0c6fdea_GH0.tar.gz) = df98ae46b2e34e3817a6ba72fabf62db416620407d258110d85ec9ee089e0e94
SIZE (Electrostatics-FETK-0c6fdea_GH0.tar.gz) = 32979631
SHA256 (Electrostatics-geoflow_c-e8ce510_GH0.tar.gz) = 27e38916e141771b71a43cebf0739911905531100df59a9fb913626a35753c2f
SIZE (Electrostatics-geoflow_c-e8ce510_GH0.tar.gz) = 45609
SHA256 (lwwilson1-TABIPB-7e3a407_GH0.tar.gz) = 7b2a8f02e06ec0f91d8cf30e15ac757d12bb776cf5a963fc41572398a6cb6c44
SIZE (lwwilson1-TABIPB-7e3a407_GH0.tar.gz) = 75583
SHA256 (lwwilson1-mesh_routines-ddb75cb_GH0.tar.gz) = 5e58ea8c419c229efb5a7d9a1bb88ba96e62790f27f97d835262417d6b098a17
SIZE (lwwilson1-mesh_routines-ddb75cb_GH0.tar.gz) = 3869445
SHA256 (davas301-pb_solvers-4858465_GH0.tar.gz) = c0a75fa213e369ad467ab910fb7536f963f777ff962210239ebfff3e4bde30b0
SIZE (davas301-pb_solvers-4858465_GH0.tar.gz) = 11187305

8
science/apbs/pkg-descr Normal file
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@ -0,0 +1,8 @@
APBS and PDB2PQR: electrostatic and solvation properties for complex molecules.
APBS solves the equations of continuum electrostatics for large biomolecular
assemblages. This software was designed "from the ground up" using modern design
principles to ensure its ability to interface with other computational packages
and evolve as methods and applications change over time.
WWW: https://www.poissonboltzmann.org/

717
science/apbs/pkg-plist Normal file
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@ -0,0 +1,717 @@
bin/apbs
include/apbs/apbs.h
include/apbs/generic/apolparm.h
include/apbs/generic/bemparm.h
include/apbs/generic/femparm.h
include/apbs/generic/geoflowparm.h
include/apbs/generic/mgparm.h
include/apbs/generic/nosh.h
include/apbs/generic/pbamparm.h
include/apbs/generic/pbeparm.h
include/apbs/generic/pbsamparm.h
include/apbs/generic/vacc.h
include/apbs/generic/valist.h
include/apbs/generic/vatom.h
include/apbs/generic/vcap.h
include/apbs/generic/vclist.h
include/apbs/generic/vgreen.h
include/apbs/generic/vhal.h
include/apbs/generic/vmatrix.h
include/apbs/generic/vparam.h
include/apbs/generic/vpbe.h
include/apbs/generic/vstring.h
include/apbs/generic/vunit.h
include/apbs/mg/vgrid.h
include/apbs/mg/vmgrid.h
include/apbs/mg/vopot.h
include/apbs/mg/vpmg.h
include/apbs/mg/vpmgp.h
include/apbs/pmgc/buildAd.h
include/apbs/pmgc/buildBd.h
include/apbs/pmgc/buildGd.h
include/apbs/pmgc/buildPd.h
include/apbs/pmgc/cgd.h
include/apbs/pmgc/gsd.h
include/apbs/pmgc/matvecd.h
include/apbs/pmgc/mgcsd.h
include/apbs/pmgc/mgdrvd.h
include/apbs/pmgc/mgfasd.h
include/apbs/pmgc/mgsubd.h
include/apbs/pmgc/mikpckd.h
include/apbs/pmgc/mlinpckd.h
include/apbs/pmgc/mypdec.h
include/apbs/pmgc/newdrvd.h
include/apbs/pmgc/newtond.h
include/apbs/pmgc/powerd.h
include/apbs/pmgc/smoothd.h
include/apbs/routines.h
include/maloc/maloc.h
include/maloc/maloc_base.h
include/maloc/psh.h
include/maloc/vcom.h
include/maloc/vio.h
include/maloc/vmem.h
include/maloc/vmp.h
include/maloc/vmpi.h
include/maloc/vnm.h
include/maloc/vpred.h
include/maloc/vset.h
include/maloc/vsh.h
include/maloc/vsys.h
lib/libapbs_generic.so
lib/libapbs_mg.so
lib/libapbs_pmgc.so
lib/libapbs_routines.so
lib/libmaloc.so
%%DATADIR%%/doc/ChangeLog.md
%%DATADIR%%/doc/README
%%DATADIR%%/doc/ReleaseNotes.md
%%DATADIR%%/doc/data-ontology/README.md
%%DATADIR%%/doc/data-ontology/catalog-v001.xml
%%DATADIR%%/doc/data-ontology/data-ontology.ttl
%%DATADIR%%/doc/data-ontology/protege.sh
%%DATADIR%%/doc/icons/APBS_1024.png
%%DATADIR%%/doc/icons/APBS_128.png
%%DATADIR%%/doc/icons/APBS_128_v2.png
%%DATADIR%%/doc/icons/APBS_16.png
%%DATADIR%%/doc/icons/APBS_256.png
%%DATADIR%%/doc/icons/APBS_32.png
%%DATADIR%%/doc/icons/APBS_512.png
%%DATADIR%%/doc/icons/APBS_64.png
%%DATADIR%%/doc/license/LICENSE.txt
%%DATADIR%%/doc/license/license.html
%%DATADIR%%/doc/%%CMAKE_BUILD_TYPE%%_procedure.txt
%%DATADIR%%/examples/FKBP/1d7h-dmso-complex.pqr
%%DATADIR%%/examples/FKBP/1d7h-dmso-mol.in
%%DATADIR%%/examples/FKBP/1d7h-dmso-smol.in
%%DATADIR%%/examples/FKBP/1d7h-dmso/UHBD/1d7h-min.qcd
%%DATADIR%%/examples/FKBP/1d7h-dmso/UHBD/bindf.inp
%%DATADIR%%/examples/FKBP/1d7h-dmso/UHBD/bindf.log
%%DATADIR%%/examples/FKBP/1d7h-dmso/UHBD/bindf.oldlog
%%DATADIR%%/examples/FKBP/1d7h-dmso/UHBD/dmso-min.qcd
%%DATADIR%%/examples/FKBP/1d7h-dmso/UHBD/pqr2qcd
%%DATADIR%%/examples/FKBP/1d7h-min.pqr
%%DATADIR%%/examples/FKBP/1d7i-dss-complex.pqr
%%DATADIR%%/examples/FKBP/1d7i-dss-mol.in
%%DATADIR%%/examples/FKBP/1d7i-dss-smol.in
%%DATADIR%%/examples/FKBP/1d7i-dss/UHBD/1d7i-min.qcd
%%DATADIR%%/examples/FKBP/1d7i-dss/UHBD/bindf.inp
%%DATADIR%%/examples/FKBP/1d7i-dss/UHBD/bindf.log
%%DATADIR%%/examples/FKBP/1d7i-dss/UHBD/dss-min.qcd
%%DATADIR%%/examples/FKBP/1d7i-min.pqr
%%DATADIR%%/examples/FKBP/README.md
%%DATADIR%%/examples/FKBP/dmso-min.pqr
%%DATADIR%%/examples/FKBP/dss-min.pqr
%%DATADIR%%/examples/README.md
%%DATADIR%%/examples/actin-dimer/README.md
%%DATADIR%%/examples/actin-dimer/UHBD/aheall-atom.charmm.dat
%%DATADIR%%/examples/actin-dimer/UHBD/nuc.3-4.full.log
%%DATADIR%%/examples/actin-dimer/UHBD/nuc.3-4.inp
%%DATADIR%%/examples/actin-dimer/UHBD/prot3.pdb
%%DATADIR%%/examples/actin-dimer/UHBD/prot4.pdb
%%DATADIR%%/examples/actin-dimer/UHBD/single.inp
%%DATADIR%%/examples/actin-dimer/UHBD/srsrf.dot
%%DATADIR%%/examples/actin-dimer/apbs-mol-auto.in
%%DATADIR%%/examples/actin-dimer/apbs-mol-parallel.in
%%DATADIR%%/examples/actin-dimer/apbs-smol-auto.in
%%DATADIR%%/examples/actin-dimer/apbs-smol-parallel.in
%%DATADIR%%/examples/actin-dimer/complex.pqr
%%DATADIR%%/examples/actin-dimer/mesh.m
%%DATADIR%%/examples/actin-dimer/mol1.pqr
%%DATADIR%%/examples/actin-dimer/mol2.pqr
%%DATADIR%%/examples/alkanes/2-methylbutane.pdb
%%DATADIR%%/examples/alkanes/Makefile.in
%%DATADIR%%/examples/alkanes/README.md
%%DATADIR%%/examples/alkanes/alkanes.in
%%DATADIR%%/examples/alkanes/apbs-forces.in
%%DATADIR%%/examples/alkanes/butane.pdb
%%DATADIR%%/examples/alkanes/cyclohexane.pdb
%%DATADIR%%/examples/alkanes/cyclopentane.pdb
%%DATADIR%%/examples/alkanes/ethane.pdb
%%DATADIR%%/examples/alkanes/force.result
%%DATADIR%%/examples/alkanes/hexane.pdb
%%DATADIR%%/examples/alkanes/isobutane.pdb
%%DATADIR%%/examples/alkanes/methane.pdb
%%DATADIR%%/examples/alkanes/mol.pdb
%%DATADIR%%/examples/alkanes/neopentane.pdb
%%DATADIR%%/examples/alkanes/parm.dat
%%DATADIR%%/examples/alkanes/pentane.pdb
%%DATADIR%%/examples/alkanes/propane.pdb
%%DATADIR%%/examples/bem-binding-energy/1d30.in
%%DATADIR%%/examples/bem-binding-energy/1d30_monomer1.in
%%DATADIR%%/examples/bem-binding-energy/1d30_monomer2.in
%%DATADIR%%/examples/bem-binding-energy/README.md
%%DATADIR%%/examples/bem-binding-energy/test_proteins/1d30.pqr
%%DATADIR%%/examples/bem-binding-energy/test_proteins/1d30_monomer1.pqr
%%DATADIR%%/examples/bem-binding-energy/test_proteins/1d30_monomer2.pqr
%%DATADIR%%/examples/bem-pKa/2LZT-ASH66.in
%%DATADIR%%/examples/bem-pKa/2LZT-ASP66.in
%%DATADIR%%/examples/bem-pKa/2LZT-noASH66.in
%%DATADIR%%/examples/bem-pKa/2LZT-noASP66.in
%%DATADIR%%/examples/bem-pKa/ASH66.in
%%DATADIR%%/examples/bem-pKa/ASP66.in
%%DATADIR%%/examples/bem-pKa/README.md
%%DATADIR%%/examples/bem-pKa/test_proteins/2LZT-ASH66.pqr
%%DATADIR%%/examples/bem-pKa/test_proteins/2LZT-ASP66.pqr
%%DATADIR%%/examples/bem-pKa/test_proteins/2LZT-noASH66.pqr
%%DATADIR%%/examples/bem-pKa/test_proteins/2LZT-noASP66.pqr
%%DATADIR%%/examples/bem-pKa/test_proteins/ASH66.pqr
%%DATADIR%%/examples/bem-pKa/test_proteins/ASP66.pqr
%%DATADIR%%/examples/bem/1a63_NanoShaper_SES.in
%%DATADIR%%/examples/bem/1a63_NanoShaper_Skin.in
%%DATADIR%%/examples/bem/1a63_msms.in
%%DATADIR%%/examples/bem/451c_order1.in
%%DATADIR%%/examples/bem/451c_order5.in
%%DATADIR%%/examples/bem/README.md
%%DATADIR%%/examples/bem/test_proteins/1a63.pqr
%%DATADIR%%/examples/bem/test_proteins/1ajj.pqr
%%DATADIR%%/examples/bem/test_proteins/1bbl.pqr
%%DATADIR%%/examples/bem/test_proteins/451c.pqr
%%DATADIR%%/examples/bem/test_proteins/oneb.pqr
%%DATADIR%%/examples/bem/test_proteins/twob.pqr
%%DATADIR%%/examples/bem/test_proteins/twob2.pqr
%%DATADIR%%/examples/born/README.md
%%DATADIR%%/examples/born/apbs-apolar.in
%%DATADIR%%/examples/born/apbs-forces.in
%%DATADIR%%/examples/born/apbs-mol-auto.in
%%DATADIR%%/examples/born/apbs-mol-fem-extmesh.in
%%DATADIR%%/examples/born/apbs-mol-fem.in
%%DATADIR%%/examples/born/apbs-mol-parallel.in
%%DATADIR%%/examples/born/apbs-smol-auto.in
%%DATADIR%%/examples/born/apbs-smol-fem.in
%%DATADIR%%/examples/born/apbs-smol-parallel.in
%%DATADIR%%/examples/born/apolarforces
%%DATADIR%%/examples/born/ion.pqr
%%DATADIR%%/examples/born/ion.xml
%%DATADIR%%/examples/born/mesh.m
%%DATADIR%%/examples/born/parm.dat
%%DATADIR%%/examples/born/pmf.dat
%%DATADIR%%/examples/born/polarforces
%%DATADIR%%/examples/geoflow/1a63.in
%%DATADIR%%/examples/geoflow/1a63.pqr
%%DATADIR%%/examples/geoflow/README.md
%%DATADIR%%/examples/geoflow/gly.pdb
%%DATADIR%%/examples/geoflow/gly.pqr
%%DATADIR%%/examples/geoflow/glycerol.in
%%DATADIR%%/examples/geoflow/imidazole.in
%%DATADIR%%/examples/geoflow/imidazole_zap.pqr
%%DATADIR%%/examples/hca-bind/README.md
%%DATADIR%%/examples/hca-bind/UHBD/bindf-nmap.err
%%DATADIR%%/examples/hca-bind/UHBD/bindf-nmap.inp
%%DATADIR%%/examples/hca-bind/UHBD/bindf-nmap.out
%%DATADIR%%/examples/hca-bind/UHBD/bindf.inp
%%DATADIR%%/examples/hca-bind/UHBD/bindf.log
%%DATADIR%%/examples/hca-bind/UHBD/bindf.out.orig
%%DATADIR%%/examples/hca-bind/UHBD/bindf1.qcd
%%DATADIR%%/examples/hca-bind/UHBD/bindf2.err
%%DATADIR%%/examples/hca-bind/UHBD/bindf2.qcd
%%DATADIR%%/examples/hca-bind/UHBD/srsrf.dot
%%DATADIR%%/examples/hca-bind/acet.pqr
%%DATADIR%%/examples/hca-bind/apbs-mol.in
%%DATADIR%%/examples/hca-bind/apbs-smol.in
%%DATADIR%%/examples/hca-bind/complex.pqr
%%DATADIR%%/examples/hca-bind/hca.pqr
%%DATADIR%%/examples/hca-bind/mesh.m
%%DATADIR%%/examples/helix/Apbs_dummy-TEMPLATE.in
%%DATADIR%%/examples/helix/Apbs_dummy.in
%%DATADIR%%/examples/helix/Apbs_solv-TEMPLATE.in
%%DATADIR%%/examples/helix/Membrane-helix-0.pqr
%%DATADIR%%/examples/helix/Membrane-helix-12.pqr
%%DATADIR%%/examples/helix/Membrane-helix-16.pqr
%%DATADIR%%/examples/helix/Membrane-helix-4.pqr
%%DATADIR%%/examples/helix/Membrane-helix-8.pqr
%%DATADIR%%/examples/helix/Run_membrane-helix.sh
%%DATADIR%%/examples/helix/draw_membrane2.c
%%DATADIR%%/examples/ion-pmf/README.md
%%DATADIR%%/examples/ion-pmf/apolarforces
%%DATADIR%%/examples/ion-pmf/complex.in
%%DATADIR%%/examples/ion-pmf/ion-pmf.in
%%DATADIR%%/examples/ion-pmf/ion-pmf.pdb
%%DATADIR%%/examples/ion-pmf/parm.dat
%%DATADIR%%/examples/ion-pmf/polarforces
%%DATADIR%%/examples/ion-pmf/runme.sh
%%DATADIR%%/examples/ion-protein/491.pqr
%%DATADIR%%/examples/ion-protein/README.md
%%DATADIR%%/examples/ion-protein/UHBD/491.pdb
%%DATADIR%%/examples/ion-protein/UHBD/small491.e2.log
%%DATADIR%%/examples/ion-protein/UHBD/small491.inp
%%DATADIR%%/examples/ion-protein/UHBD/small491.log
%%DATADIR%%/examples/ion-protein/UHBD/small491.pdb
%%DATADIR%%/examples/ion-protein/apbs-mol-pdiel12.in
%%DATADIR%%/examples/ion-protein/apbs-mol-pdiel2.in
%%DATADIR%%/examples/ion-protein/apbs-smol-pdiel12.in
%%DATADIR%%/examples/ion-protein/apbs-smol-pdiel2.in
%%DATADIR%%/examples/ion-protein/complex.pqr
%%DATADIR%%/examples/ion-protein/small491.pqr
%%DATADIR%%/examples/ionize/README.md
%%DATADIR%%/examples/ionize/UHBD/elec.dat.exam
%%DATADIR%%/examples/ionize/UHBD/elec.inp.exam
%%DATADIR%%/examples/ionize/UHBD/elec.out.orig.exam
%%DATADIR%%/examples/ionize/UHBD/elec.pdb.exam
%%DATADIR%%/examples/ionize/acetate.pqr
%%DATADIR%%/examples/ionize/acetate.xml
%%DATADIR%%/examples/ionize/acetic-acid.pqr
%%DATADIR%%/examples/ionize/acetic-acid.xml
%%DATADIR%%/examples/ionize/apbs-mol.in
%%DATADIR%%/examples/ionize/apbs-smol.in
%%DATADIR%%/examples/ionize/proton.pqr
%%DATADIR%%/examples/ionize/proton.xml
%%DATADIR%%/examples/membrane/memv.in
%%DATADIR%%/examples/membrane/pot.pqr
%%DATADIR%%/examples/membrane/readme.md
%%DATADIR%%/examples/misc/README.md
%%DATADIR%%/examples/misc/achbp.pqr
%%DATADIR%%/examples/misc/apbs-PDB.in
%%DATADIR%%/examples/misc/apbs.in
%%DATADIR%%/examples/misc/fas2.pqr
%%DATADIR%%/examples/misc/mache.pqr
%%DATADIR%%/examples/misc/param.dat
%%DATADIR%%/examples/opal/README.md
%%DATADIR%%/examples/opal/actin-complex.pqr
%%DATADIR%%/examples/opal/actin-dimer-para.in
%%DATADIR%%/examples/opal/actin-dimer.in
%%DATADIR%%/examples/opal/actin-mol1.pqr
%%DATADIR%%/examples/opal/actin-mol2.pqr
%%DATADIR%%/examples/opal/born.xml
%%DATADIR%%/examples/pbam/1a63.in
%%DATADIR%%/examples/pbam/1a63.pqr
%%DATADIR%%/examples/pbam/README.md
%%DATADIR%%/examples/pbam/neg_1.xyz
%%DATADIR%%/examples/pbam/neg_2.xyz
%%DATADIR%%/examples/pbam/neg_3.xyz
%%DATADIR%%/examples/pbam/neg_charge.pqr
%%DATADIR%%/examples/pbam/pos_1.xyz
%%DATADIR%%/examples/pbam/pos_2.xyz
%%DATADIR%%/examples/pbam/pos_3.xyz
%%DATADIR%%/examples/pbam/pos_charge.pqr
%%DATADIR%%/examples/pbam/toy_dynamics.in
%%DATADIR%%/examples/pbam/toy_electrostatic.in
%%DATADIR%%/examples/pbam/toy_energyforce.in
%%DATADIR%%/examples/pbsam-barn_bars/barn_bars_electro.in
%%DATADIR%%/examples/pbsam-barn_bars/barnase.pqr
%%DATADIR%%/examples/pbsam-barn_bars/barstar.pqr
%%DATADIR%%/examples/pbsam-gly/README.md
%%DATADIR%%/examples/pbsam-gly/gly.pqr
%%DATADIR%%/examples/pbsam-gly/gly.vert
%%DATADIR%%/examples/pbsam-gly/gly_cg.pqr
%%DATADIR%%/examples/pbsam-gly/gly_cg2.pqr
%%DATADIR%%/examples/pbsam-gly/gly_dynamics.in
%%DATADIR%%/examples/pbsam-gly/gly_electrostatic.in
%%DATADIR%%/examples/pbsam-gly/gly_energyforce.in
%%DATADIR%%/examples/pbsam-gly/msms/gly_electrostatic.in
%%DATADIR%%/examples/pbsam-gly/msms/gly_msms.pqr
%%DATADIR%%/examples/pbsam-gly/traj_1_1.xyz
%%DATADIR%%/examples/pbsam-gly/traj_1_2.xyz
%%DATADIR%%/examples/pbsam-gly/traj_2_1.xyz
%%DATADIR%%/examples/pbsam-gly/traj_2_2.xyz
%%DATADIR%%/examples/pka-lig/README.md
%%DATADIR%%/examples/pka-lig/UHBD/README
%%DATADIR%%/examples/pka-lig/UHBD/uhbd1-apo.out
%%DATADIR%%/examples/pka-lig/UHBD/uhbd1-bin.out
%%DATADIR%%/examples/pka-lig/UHBD/uhbd1-lig.out
%%DATADIR%%/examples/pka-lig/UHBD/uhbd2-apo.out
%%DATADIR%%/examples/pka-lig/UHBD/uhbd2-bin.out
%%DATADIR%%/examples/pka-lig/UHBD/uhbd2-lig.out
%%DATADIR%%/examples/pka-lig/apbs-mol-surf.in
%%DATADIR%%/examples/pka-lig/apbs-mol-vdw.in
%%DATADIR%%/examples/pka-lig/apbs-smol-surf.in
%%DATADIR%%/examples/pka-lig/apbs-smol-vdw.in
%%DATADIR%%/examples/pka-lig/bx6_7_apo_apbs.pqr
%%DATADIR%%/examples/pka-lig/bx6_7_bin_apbs.pqr
%%DATADIR%%/examples/pka-lig/bx6_7_lig_apbs.pqr
%%DATADIR%%/examples/point-pmf/README.md
%%DATADIR%%/examples/point-pmf/apbs.in
%%DATADIR%%/examples/point-pmf/complex-0_1.in
%%DATADIR%%/examples/point-pmf/complex-0_1.pqr
%%DATADIR%%/examples/point-pmf/complex-0_2.in
%%DATADIR%%/examples/point-pmf/complex-0_2.pqr
%%DATADIR%%/examples/point-pmf/complex-0_3.in
%%DATADIR%%/examples/point-pmf/complex-0_3.pqr
%%DATADIR%%/examples/point-pmf/complex-0_4.in
%%DATADIR%%/examples/point-pmf/complex-0_4.pqr
%%DATADIR%%/examples/point-pmf/energy.dat
%%DATADIR%%/examples/point-pmf/mol0.pqr
%%DATADIR%%/examples/point-pmf/mol1.pqr
%%DATADIR%%/examples/point-pmf/mol2.pqr
%%DATADIR%%/examples/point-pmf/mol3.pqr
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