From owner-svn-ports-head@FreeBSD.ORG Fri May 10 14:33:42 2013 Return-Path: Delivered-To: svn-ports-head@freebsd.org Received: from mx1.freebsd.org (mx1.FreeBSD.org [8.8.178.115]) by hub.freebsd.org (Postfix) with ESMTP id 350911A9; Fri, 10 May 2013 14:33:42 +0000 (UTC) (envelope-from miwi@FreeBSD.org) Received: from svn.freebsd.org (svn.freebsd.org [IPv6:2001:1900:2254:2068::e6a:0]) by mx1.freebsd.org (Postfix) with ESMTP id 25F5FDBA; Fri, 10 May 2013 14:33:42 +0000 (UTC) Received: from svn.freebsd.org ([127.0.1.70]) by svn.freebsd.org (8.14.6/8.14.6) with ESMTP id r4AEXgY6010541; Fri, 10 May 2013 14:33:42 GMT (envelope-from miwi@svn.freebsd.org) Received: (from miwi@localhost) by svn.freebsd.org (8.14.6/8.14.5/Submit) id r4AEXfeV010535; Fri, 10 May 2013 14:33:41 GMT (envelope-from miwi@svn.freebsd.org) Message-Id: <201305101433.r4AEXfeV010535@svn.freebsd.org> From: Martin Wilke Date: Fri, 10 May 2013 14:33:41 +0000 (UTC) To: ports-committers@freebsd.org, svn-ports-all@freebsd.org, svn-ports-head@freebsd.org Subject: svn commit: r317808 - in head/science/avogadro: . files X-SVN-Group: ports-head MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit X-BeenThere: svn-ports-head@freebsd.org X-Mailman-Version: 2.1.14 Precedence: list List-Id: SVN commit messages for the ports tree for head List-Unsubscribe: , List-Archive: List-Post: List-Help: List-Subscribe: , X-List-Received-Date: Fri, 10 May 2013 14:33:42 -0000 Author: miwi Date: Fri May 10 14:33:41 2013 New Revision: 317808 URL: http://svnweb.freebsd.org/changeset/ports/317808 Log: - Update to 1.1.0 PR: 177935 Submitted by: Ports Fury Deleted: head/science/avogadro/files/patch-libavogadro__CMakeLists.txt Modified: head/science/avogadro/Makefile head/science/avogadro/distinfo (contents, props changed) head/science/avogadro/pkg-plist (contents, props changed) Modified: head/science/avogadro/Makefile ============================================================================== --- head/science/avogadro/Makefile Fri May 10 14:32:33 2013 (r317807) +++ head/science/avogadro/Makefile Fri May 10 14:33:41 2013 (r317808) @@ -2,29 +2,33 @@ # $FreeBSD$ PORTNAME= avogadro -PORTVERSION= 1.0.3 -PORTREVISION= 2 +PORTVERSION= 1.1.0 CATEGORIES= science MASTER_SITES= SF MAINTAINER= ports@FreeBSD.org COMMENT= Advanced molecular editor and viewer +LICENSE= GPLv2 # (or later) + BUILD_DEPENDS= ${LOCALBASE}/libdata/pkgconfig/eigen2.pc:${PORTSDIR}/math/eigen2 LIB_DEPENDS= openbabel:${PORTSDIR}/science/openbabel -USE_LDCONFIG= yes +OPTIONS_DEFINE= PYTHON +OPTIONS_DEFAULT=PYTHON + USE_BZIP2= yes +USES= cmake pkgconfig USE_GL= glu -USE_QT4= gui opengl network linguist_build \ - qmake_build moc_build rcc_build uic_build -USES= cmake +USE_QT4= gui network opengl \ + linguist_build moc_build qmake_build rcc_build uic_build CMAKE_ARGS= -DENABLE_GLSL=OFF \ -DQT_MKSPECS_RELATIVE=share/qt4/mkspecs -USE_GCC= 4.4+ +USE_LDCONFIG= yes MAKE_JOBS_SAFE= yes -OPTIONS_DEFINE= PYTHON +CFLAGS+= -idirafter ${LOCALBASE}/include +LDFLAGS+= -L${LOCALBASE}/lib MAN1= avogadro.1 avopkg.1 @@ -35,9 +39,9 @@ CMAKE_ARGS+= -DENABLE_PYTHON=ON USE_PYTHON= -2.7 BUILD_DEPENDS+= ${PYNUMPY} \ ${PYTHON_PKGNAMEPREFIX}sip>0:${PORTSDIR}/devel/py-sip +LIB_DEPENDS+= boost_python:${PORTSDIR}/devel/boost-python-libs RUN_DEPENDS+= ${PYNUMPY} \ ${PYTHON_PKGNAMEPREFIX}sip>0:${PORTSDIR}/devel/py-sip -LIB_DEPENDS+= boost_python:${PORTSDIR}/devel/boost-python-libs PLIST_SUB+= PYTHON="" .else CMAKE_ARGS+= -DENABLE_PYTHON=OFF @@ -45,6 +49,10 @@ PLIST_SUB+= PYTHON="@comment " .endif post-patch: - @${REINPLACE_CMD} 's|share/man|man|' ${WRKSRC}/doc/CMakeLists.txt + @${REINPLACE_CMD} -e \ + '/FLAGS_RELEASE/s|^|#| ; \ + /PC_FILES/s|$${LIB_INSTALL_DIR}|libdata|' ${WRKSRC}/CMakeLists.txt + @${REINPLACE_CMD} -e \ + 's|share/man|man|' ${WRKSRC}/doc/CMakeLists.txt .include Modified: head/science/avogadro/distinfo ============================================================================== --- head/science/avogadro/distinfo Fri May 10 14:32:33 2013 (r317807) +++ head/science/avogadro/distinfo Fri May 10 14:33:41 2013 (r317808) @@ -1,2 +1,2 @@ -SHA256 (avogadro-1.0.3.tar.bz2) = efb6fda223da3c027436f0c218a47ce804f7469c58b41134230e9ebad1c98468 -SIZE (avogadro-1.0.3.tar.bz2) = 4971989 +SHA256 (avogadro-1.1.0.tar.bz2) = 6b4eaf57ae52bf43df9b103c77e6abae71e067053d5c99f82acbce9855ecceb0 +SIZE (avogadro-1.1.0.tar.bz2) = 10741835 Modified: head/science/avogadro/pkg-plist ============================================================================== --- head/science/avogadro/pkg-plist Fri May 10 14:32:33 2013 (r317807) +++ head/science/avogadro/pkg-plist Fri May 10 14:33:41 2013 (r317808) @@ -8,6 +8,8 @@ include/avogadro/color.h include/avogadro/color3f.h include/avogadro/colorbutton.h include/avogadro/cube.h +include/avogadro/dockextension.h +include/avogadro/dockwidget.h include/avogadro/elementtranslator.h include/avogadro/engine.h include/avogadro/extension.h @@ -22,6 +24,7 @@ include/avogadro/molecule.h include/avogadro/moleculefile.h include/avogadro/navigate.h include/avogadro/neighborlist.h +include/avogadro/obeigenconv.h include/avogadro/painter.h include/avogadro/painterdevice.h include/avogadro/periodictableview.h @@ -38,70 +41,82 @@ include/avogadro/protein.h %%PYTHON%%include/avogadro/pythoninterpreter.h %%PYTHON%%include/avogadro/pythonscript.h include/avogadro/residue.h +include/avogadro/textmatrixeditor.h include/avogadro/tool.h include/avogadro/toolgroup.h include/avogadro/undosequence.h include/avogadro/zmatrix.h -lib/avogadro/1_0/AvogadroBuildSettings.cmake -lib/avogadro/1_0/AvogadroLibraryDeps.cmake -lib/avogadro/1_0/AvogadroUse.cmake -lib/avogadro/1_0/cmake/FindEigen2.cmake -lib/avogadro/1_0/cmake/FindGLEW.cmake -lib/avogadro/1_0/colors/atomindexcolor.so -lib/avogadro/1_0/colors/chargecolor.so -lib/avogadro/1_0/colors/customcolor.so -lib/avogadro/1_0/colors/distancecolor.so -lib/avogadro/1_0/colors/residuecolor.so -lib/avogadro/1_0/engines/axesengine.so -lib/avogadro/1_0/engines/cartoonengine.so -lib/avogadro/1_0/engines/dipoleengine.so -lib/avogadro/1_0/engines/forceengine.so -lib/avogadro/1_0/engines/hbondengine.so -lib/avogadro/1_0/engines/labelengine.so -lib/avogadro/1_0/engines/overlayengine.so -lib/avogadro/1_0/engines/polygonengine.so -lib/avogadro/1_0/engines/ribbonengine.so -lib/avogadro/1_0/engines/ringengine.so -lib/avogadro/1_0/engines/simplewireengine.so -lib/avogadro/1_0/engines/sphereengine.so -lib/avogadro/1_0/engines/stickengine.so -lib/avogadro/1_0/engines/surfaceengine.so -lib/avogadro/1_0/engines/wireengine.so -lib/avogadro/1_0/extensions/animationextension.so -lib/avogadro/1_0/extensions/fileimportextension.so -lib/avogadro/1_0/extensions/forcefieldextension.so -lib/avogadro/1_0/extensions/gamessextension.so -lib/avogadro/1_0/extensions/h2methylextension.so -lib/avogadro/1_0/extensions/hydrogenextension.so -lib/avogadro/1_0/extensions/inputfileextension.so -lib/avogadro/1_0/extensions/insertfragmentextension.so -lib/avogadro/1_0/extensions/insertpeptideextension.so -lib/avogadro/1_0/extensions/molecularpropextension.so -lib/avogadro/1_0/extensions/networkfetchextension.so -lib/avogadro/1_0/extensions/povrayextension.so -lib/avogadro/1_0/extensions/propextension.so -%%PYTHON%%lib/avogadro/1_0/extensions/pythonterminal.so -lib/avogadro/1_0/extensions/selectextension.so -lib/avogadro/1_0/extensions/spectraextension.so -lib/avogadro/1_0/extensions/supercellextension.so -lib/avogadro/1_0/extensions/surfaceextension.so -lib/avogadro/1_0/extensions/unitcellextension.so -lib/avogadro/1_0/extensions/vibrationextension.so -lib/avogadro/1_0/tools/aligntool.so -lib/avogadro/1_0/tools/autoopttool.so -lib/avogadro/1_0/tools/autorotatetool.so -lib/avogadro/1_0/tools/bondcentrictool.so -lib/avogadro/1_0/tools/clickmeasuretool.so -lib/avogadro/1_0/tools/drawtool.so -lib/avogadro/1_0/tools/manipulatetool.so -lib/avogadro/1_0/tools/navigatetool.so -lib/avogadro/1_0/tools/selectrotatetool.so +lib/avogadro/1_1/AvogadroUse.cmake +lib/avogadro/1_1/cmake/FindEigen2.cmake +lib/avogadro/1_1/cmake/FindGLEW.cmake +lib/avogadro/1_1/colors/atomindexcolor.so +lib/avogadro/1_1/colors/chargecolor.so +lib/avogadro/1_1/colors/customcolor.so +lib/avogadro/1_1/colors/distancecolor.so +lib/avogadro/1_1/colors/residuecolor.so +lib/avogadro/1_1/colors/smartscolor.so +lib/avogadro/1_1/engines/axesengine.so +lib/avogadro/1_1/engines/cartoonengine.so +lib/avogadro/1_1/engines/dipoleengine.so +lib/avogadro/1_1/engines/forceengine.so +lib/avogadro/1_1/engines/hbondengine.so +lib/avogadro/1_1/engines/labelengine.so +lib/avogadro/1_1/engines/polygonengine.so +lib/avogadro/1_1/engines/qtaimengine.so +lib/avogadro/1_1/engines/ribbonengine.so +lib/avogadro/1_1/engines/ringengine.so +lib/avogadro/1_1/engines/simplewireengine.so +lib/avogadro/1_1/engines/sphereengine.so +lib/avogadro/1_1/engines/stickengine.so +lib/avogadro/1_1/engines/surfaceengine.so +lib/avogadro/1_1/engines/wireengine.so +lib/avogadro/1_1/extensions/animationextension.so +lib/avogadro/1_1/extensions/cartesianextension.so +lib/avogadro/1_1/extensions/crystallographyextension.so +lib/avogadro/1_1/extensions/fileimportextension.so +lib/avogadro/1_1/extensions/forcefieldextension.so +lib/avogadro/1_1/extensions/gamessextension.so +lib/avogadro/1_1/extensions/gl2psextension.so +lib/avogadro/1_1/extensions/h2methylextension.so +lib/avogadro/1_1/extensions/hydrogensextension.so +lib/avogadro/1_1/extensions/inputfileextension.so +lib/avogadro/1_1/extensions/insertfragmentextension.so +lib/avogadro/1_1/extensions/insertpeptideextension.so +lib/avogadro/1_1/extensions/invertchiralextension.so +lib/avogadro/1_1/extensions/molecularpropextension.so +lib/avogadro/1_1/extensions/networkfetchextension.so +lib/avogadro/1_1/extensions/orbitalextension.so +lib/avogadro/1_1/extensions/povrayextension.so +lib/avogadro/1_1/extensions/propextension.so +%%PYTHON%%lib/avogadro/1_1/extensions/pythonterminal.so +lib/avogadro/1_1/extensions/qtaimextension.so +lib/avogadro/1_1/extensions/selectextension.so +lib/avogadro/1_1/extensions/spectraextension.so +lib/avogadro/1_1/extensions/supercellextension.so +lib/avogadro/1_1/extensions/surfaceextension.so +lib/avogadro/1_1/extensions/swcntbuilderextension.so +lib/avogadro/1_1/extensions/vibrationextension.so +lib/avogadro/1_1/tools/aligntool.so +lib/avogadro/1_1/tools/autoopttool.so +lib/avogadro/1_1/tools/autorotatetool.so +lib/avogadro/1_1/tools/bondcentrictool.so +lib/avogadro/1_1/tools/clickmeasuretool.so +lib/avogadro/1_1/tools/drawtool.so +lib/avogadro/1_1/tools/manipulatetool.so +lib/avogadro/1_1/tools/selectrotatetool.so lib/avogadro/AvogadroConfig.cmake lib/avogadro/AvogadroConfigVersion.cmake +lib/avogadro/AvogadroTargets-release.cmake +lib/avogadro/AvogadroTargets.cmake lib/libavogadro.so lib/libavogadro.so.1 -lib/libavogadro.so.1.0.3 +lib/libavogadro.so.1.1.0 +lib/libavogadro_OpenQube.so +lib/libavogadro_OpenQube.so.0 +lib/libavogadro_OpenQube.so.0.1.0 %%PYTHON%%%%PYTHON_SITELIBDIR%%/Avogadro.so +libdata/pkgconfig/avogadro.pc +share/applications/avogadro.desktop %%DATADIR%%/builder/amino/d-ala.zmat %%DATADIR%%/builder/amino/d-arg.zmat %%DATADIR%%/builder/amino/d-asn.zmat @@ -143,18 +158,574 @@ lib/libavogadro.so.1.0.3 %%DATADIR%%/builder/amino/l-trp.zmat %%DATADIR%%/builder/amino/l-tyr.zmat %%DATADIR%%/builder/amino/l-val.zmat +%%DATADIR%%/crystals/antimonides/AlSb.cif +%%DATADIR%%/crystals/antimonides/GaSb.cif +%%DATADIR%%/crystals/antimonides/InSb.cif +%%DATADIR%%/crystals/arsenides/AlAs.cif +%%DATADIR%%/crystals/arsenides/BAs.cif +%%DATADIR%%/crystals/arsenides/Co.87Fe.11Ni.13As3-Skutterudite.cif +%%DATADIR%%/crystals/arsenides/CoAs3-Skutterudite.cif +%%DATADIR%%/crystals/arsenides/GaAs.cif +%%DATADIR%%/crystals/arsenides/InAs.cif +%%DATADIR%%/crystals/arsenides/NiAs-Nickeline.cif +%%DATADIR%%/crystals/carbides/SiC-2H-Moissanite.cif +%%DATADIR%%/crystals/carbides/SiC-3C-beta.cif +%%DATADIR%%/crystals/carbides/SiC-6H-alpha.cif +%%DATADIR%%/crystals/carbides/SiC-Moissanite.cif +%%DATADIR%%/crystals/carbides/SiC.cif +%%DATADIR%%/crystals/carbides/W2C.cif +%%DATADIR%%/crystals/carbides/WC.cif +%%DATADIR%%/crystals/carbonates/CaCO3-Calcite.cif +%%DATADIR%%/crystals/carbonates/CaMgC2O6-Dolomite.cif +%%DATADIR%%/crystals/carbonates/Li2CO3-Zabuyelite.cif +%%DATADIR%%/crystals/carbonates/MgCO3-Magnesite.cif +%%DATADIR%%/crystals/carbonates/Na2CO3-Natrite.cif +%%DATADIR%%/crystals/clays/Al2Si2O9H4-Dickite.cif +%%DATADIR%%/crystals/clays/Al2Si2O9H4-Kaolinite.cif +%%DATADIR%%/crystals/clays/Al2Si2O9H4-Nacrite.cif +%%DATADIR%%/crystals/clays/Al2Si4O12Ca0.5-Montmorillonite.cif +%%DATADIR%%/crystals/clays/Al4KSi2O12-Illite.cif +%%DATADIR%%/crystals/clays/AlSi2O6H-Pyrophyllite.cif +%%DATADIR%%/crystals/clays/Fe2.25Cl0.5H2.75-Fougerite.cif +%%DATADIR%%/crystals/clays/FeSi2O6H-Nontronite.cif +%%DATADIR%%/crystals/clays/Lepidolite.cif +%%DATADIR%%/crystals/clays/Mg2Al2SiO9H4-Amesite.cif +%%DATADIR%%/crystals/clays/Mg3(O12Si4)H2-Vermiculite.cif +%%DATADIR%%/crystals/clays/Mg4Si6O22.82H13.64-Sepiolite.cif +%%DATADIR%%/crystals/clays/Mn1.854Fe1.656Mg0.537Si0.953O9H4-Guidottiite.cif +%%DATADIR%%/crystals/clays/Zn2SiO5H2-Hemimorphite.cif +%%DATADIR%%/crystals/elements/Ac-Actinium.cif +%%DATADIR%%/crystals/elements/Ag-Silver.cif +%%DATADIR%%/crystals/elements/Al-Aluminum.cif +%%DATADIR%%/crystals/elements/Am-Americium.cif +%%DATADIR%%/crystals/elements/Ar-Argon.cif +%%DATADIR%%/crystals/elements/As-Arsenic.cif +%%DATADIR%%/crystals/elements/As-Arsenolamprite.cif +%%DATADIR%%/crystals/elements/Au-Gold.cif +%%DATADIR%%/crystals/elements/B-Boron.cif +%%DATADIR%%/crystals/elements/Ba-Barium.cif +%%DATADIR%%/crystals/elements/Be-Beryllium.cif +%%DATADIR%%/crystals/elements/Bi-Bismuth.cif +%%DATADIR%%/crystals/elements/Br-Bromine.cif +%%DATADIR%%/crystals/elements/C-Diamond.cif +%%DATADIR%%/crystals/elements/C-Graphite.cif +%%DATADIR%%/crystals/elements/C-Lonsdaleite.cif +%%DATADIR%%/crystals/elements/Ca-Calcium-alpha.cif +%%DATADIR%%/crystals/elements/Ca-Calcium-beta.cif +%%DATADIR%%/crystals/elements/Ca-Calcium-gamma.cif +%%DATADIR%%/crystals/elements/Cd-Cadmium.cif +%%DATADIR%%/crystals/elements/Ce-Cerium.cif +%%DATADIR%%/crystals/elements/Cl-Chlorine.cif +%%DATADIR%%/crystals/elements/Co-Cobalt.cif +%%DATADIR%%/crystals/elements/Cr-Chromium.cif +%%DATADIR%%/crystals/elements/Cs-Cesium.cif +%%DATADIR%%/crystals/elements/Cu-Copper.cif +%%DATADIR%%/crystals/elements/Dy-Dysprosium.cif +%%DATADIR%%/crystals/elements/Er-Erbium.cif +%%DATADIR%%/crystals/elements/Eu-Europium.cif +%%DATADIR%%/crystals/elements/Fe-Iron-alpha.cif +%%DATADIR%%/crystals/elements/Fe-Iron-beta.cif +%%DATADIR%%/crystals/elements/Fe-Iron-delta.cif +%%DATADIR%%/crystals/elements/Fe-Iron-gamma.cif +%%DATADIR%%/crystals/elements/Ga-Gallium.cif +%%DATADIR%%/crystals/elements/Gd-Gadolinium.cif +%%DATADIR%%/crystals/elements/Ge-Germanium.cif +%%DATADIR%%/crystals/elements/He-Helium.cif +%%DATADIR%%/crystals/elements/Hf-Hafnium.cif +%%DATADIR%%/crystals/elements/Ho-Holmium.cif +%%DATADIR%%/crystals/elements/I-Iodine.cif +%%DATADIR%%/crystals/elements/In-Indium.cif +%%DATADIR%%/crystals/elements/Ir-Iridium.cif +%%DATADIR%%/crystals/elements/K-Potassium.cif +%%DATADIR%%/crystals/elements/Kr-Krypton.cif +%%DATADIR%%/crystals/elements/La-Lanthanum.cif +%%DATADIR%%/crystals/elements/Li-Lithium.cif +%%DATADIR%%/crystals/elements/Lu-Lutetium.cif +%%DATADIR%%/crystals/elements/Mg-Magnesium.cif +%%DATADIR%%/crystals/elements/Mn-Manganese-alpha.cif +%%DATADIR%%/crystals/elements/Mn-Manganese-delta.cif +%%DATADIR%%/crystals/elements/Mn-Manganese-gamma.cif +%%DATADIR%%/crystals/elements/Mo-Molybdenum.cif +%%DATADIR%%/crystals/elements/N-Nitrogen.cif +%%DATADIR%%/crystals/elements/Na-Sodium.cif +%%DATADIR%%/crystals/elements/Nb-Niobium.cif +%%DATADIR%%/crystals/elements/Nd-Neodymium.cif +%%DATADIR%%/crystals/elements/Ne-Neon.cif +%%DATADIR%%/crystals/elements/Ni-Nickel.cif +%%DATADIR%%/crystals/elements/Np-Neptunium-alpha.cif +%%DATADIR%%/crystals/elements/Np-Neptunium-beta.cif +%%DATADIR%%/crystals/elements/Np-Neptunium-gamma.cif +%%DATADIR%%/crystals/elements/Os-Osmium.cif +%%DATADIR%%/crystals/elements/P-Phosphorus-black.cif +%%DATADIR%%/crystals/elements/P-Phosphorus.cif +%%DATADIR%%/crystals/elements/Pb-Lead.cif +%%DATADIR%%/crystals/elements/Pd-Palladium.cif +%%DATADIR%%/crystals/elements/Pr-Praseodymium.cif +%%DATADIR%%/crystals/elements/Pt-Platinum.cif +%%DATADIR%%/crystals/elements/Pu-Plutonium-alpha.cif +%%DATADIR%%/crystals/elements/Pu-Plutonium-epsilon.cif +%%DATADIR%%/crystals/elements/Pu-Plutonium-gamma.cif +%%DATADIR%%/crystals/elements/Rb-Rubidium.cif +%%DATADIR%%/crystals/elements/Re-Rhenium.cif +%%DATADIR%%/crystals/elements/Rh-Rhodium.cif +%%DATADIR%%/crystals/elements/Ru-Ruthenium.cif +%%DATADIR%%/crystals/elements/S6-Sulfur.cif +%%DATADIR%%/crystals/elements/S8-Sulfur-alpha.cif +%%DATADIR%%/crystals/elements/S8-Sulfur-beta.cif +%%DATADIR%%/crystals/elements/S8-Sulfur-gamma.cif +%%DATADIR%%/crystals/elements/Sb-Antimony.cif +%%DATADIR%%/crystals/elements/Sc-Scandium.cif +%%DATADIR%%/crystals/elements/Se-Selenium.cif +%%DATADIR%%/crystals/elements/Si-Silicon.cif +%%DATADIR%%/crystals/elements/Sm-Samarium.cif +%%DATADIR%%/crystals/elements/Sn-Tin-alpha.cif +%%DATADIR%%/crystals/elements/Sn-Tin-beta.cif +%%DATADIR%%/crystals/elements/Sr-Strontium.cif +%%DATADIR%%/crystals/elements/Ta-Tantalum.cif +%%DATADIR%%/crystals/elements/Tb-Terbium.cif +%%DATADIR%%/crystals/elements/Te-Tellurium.cif +%%DATADIR%%/crystals/elements/Th-Thorium.cif +%%DATADIR%%/crystals/elements/Ti-Titanium-alpha.cif +%%DATADIR%%/crystals/elements/Ti-Titanium-beta.cif +%%DATADIR%%/crystals/elements/Tl-Thallium.cif +%%DATADIR%%/crystals/elements/Tm-Thulium.cif +%%DATADIR%%/crystals/elements/U-Uranium-alpha.cif +%%DATADIR%%/crystals/elements/U-Uranium-gamma.cif +%%DATADIR%%/crystals/elements/V-Vanadium.cif +%%DATADIR%%/crystals/elements/W-Tungsten.cif +%%DATADIR%%/crystals/elements/Xe-Xenon.cif +%%DATADIR%%/crystals/elements/Y-Yttrium.cif +%%DATADIR%%/crystals/elements/Yb-Ytterbium.cif +%%DATADIR%%/crystals/elements/Zn-Zinc.cif +%%DATADIR%%/crystals/elements/Zr-Zirconium.cif +%%DATADIR%%/crystals/halides/AgBr-Bromargyrite.cif +%%DATADIR%%/crystals/halides/AgCl-Chlorargyrite.cif +%%DATADIR%%/crystals/halides/AlCl3.cif +%%DATADIR%%/crystals/halides/AlNa3F6-Cryolite.cif +%%DATADIR%%/crystals/halides/CaF2-Fluorite.cif +%%DATADIR%%/crystals/halides/CdCl2.cif +%%DATADIR%%/crystals/halides/CdI2.cif +%%DATADIR%%/crystals/halides/CrCl2.cif +%%DATADIR%%/crystals/halides/CrCl3.cif +%%DATADIR%%/crystals/halides/CsCl.cif +%%DATADIR%%/crystals/halides/FeCl3-Molysite.cif +%%DATADIR%%/crystals/halides/HgCl-Calomel.cif +%%DATADIR%%/crystals/halides/KBr.cif +%%DATADIR%%/crystals/halides/KCl-Sylvite.cif +%%DATADIR%%/crystals/halides/NaCl-Halite.cif +%%DATADIR%%/crystals/halides/PbFCl-Matlockite.cif +%%DATADIR%%/crystals/hydrides/KH.cif +%%DATADIR%%/crystals/hydrides/LiH.cif +%%DATADIR%%/crystals/hydrides/NaH.cif +%%DATADIR%%/crystals/hydrides/PdH.cif +%%DATADIR%%/crystals/hydroxides/Ca(OH)2-Portlandite.cif +%%DATADIR%%/crystals/hydroxides/KOH.cif +%%DATADIR%%/crystals/hydroxides/LiOH.cif +%%DATADIR%%/crystals/hydroxides/Mg(OH)2-Brucite.cif +%%DATADIR%%/crystals/hydroxides/Ni(OH)2-Theophrastite.cif +%%DATADIR%%/crystals/ice/H2O-Ice-II.cif +%%DATADIR%%/crystals/ice/H2O-Ice-III.cif +%%DATADIR%%/crystals/ice/H2O-Ice-IV.cif +%%DATADIR%%/crystals/ice/H2O-Ice-Ih.cif +%%DATADIR%%/crystals/ice/H2O-Ice-VI.cif +%%DATADIR%%/crystals/ice/H2O-Ice-VII.cif +%%DATADIR%%/crystals/ice/H2O-Ice.cif +%%DATADIR%%/crystals/intermetallics/(Cu0.5Fe0.5)Pt-Tulameenite.cif +%%DATADIR%%/crystals/intermetallics/(Ni0.5Fe0.5)Pt-Ferronickelplatinum.cif +%%DATADIR%%/crystals/intermetallics/Au3Cu-Bogdanovite.cif +%%DATADIR%%/crystals/intermetallics/AuCu-Tetraauricupride.cif +%%DATADIR%%/crystals/intermetallics/BiPd-Sobolevskite.cif +%%DATADIR%%/crystals/intermetallics/CoFe-Wairauite.cif +%%DATADIR%%/crystals/intermetallics/Cu2MnAl-Heusler.cif +%%DATADIR%%/crystals/intermetallics/FePt-Tetraferroplatinum.cif +%%DATADIR%%/crystals/intermetallics/PtBi.cif +%%DATADIR%%/crystals/nitrides/AlN.cif +%%DATADIR%%/crystals/nitrides/BN.cif +%%DATADIR%%/crystals/nitrides/GaN.cif +%%DATADIR%%/crystals/nitrides/InN.cif +%%DATADIR%%/crystals/nitrides/Si3N4-beta.cif +%%DATADIR%%/crystals/other/(NH4)MgPO4-6(H2O)-Struvite.cif +%%DATADIR%%/crystals/other/C10H10Fe-Ferrocene.cif +%%DATADIR%%/crystals/other/Ca2C4O10H2.57-Oxalate-Whewellite.cif +%%DATADIR%%/crystals/other/CaC2O6.375H6-Oxalate-Weddellite.cif +%%DATADIR%%/crystals/other/FeMnO3-Bixbyite.cif +%%DATADIR%%/crystals/other/H3N-Ammonia.cif +%%DATADIR%%/crystals/other/LaAlO3.cif +%%DATADIR%%/crystals/other/LiNbO3-LithiumNiobate.cif +%%DATADIR%%/crystals/other/Pb1Ti0.35Zr0.65O3-PZT-cub.cif +%%DATADIR%%/crystals/other/Pb1Ti0.35Zr0.65O3-PZT-rhomb.cif +%%DATADIR%%/crystals/other/YBa2Cu3O6.9-YBCO.cif +%%DATADIR%%/crystals/oxides/(MgAl2)O4-Spinel.cif +%%DATADIR%%/crystals/oxides/Ag2O.cif +%%DATADIR%%/crystals/oxides/AgO.cif +%%DATADIR%%/crystals/oxides/Al2O3-Corundum.cif +%%DATADIR%%/crystals/oxides/BaO.cif +%%DATADIR%%/crystals/oxides/CaO-Lime.cif +%%DATADIR%%/crystals/oxides/CdO-Monteponite.cif +%%DATADIR%%/crystals/oxides/CeO2-Cerianite.cif +%%DATADIR%%/crystals/oxides/CoFe2O4.cif +%%DATADIR%%/crystals/oxides/CoO.cif +%%DATADIR%%/crystals/oxides/Cr2O3-Eskolaite.cif +%%DATADIR%%/crystals/oxides/Cu2O-Cuprite.cif +%%DATADIR%%/crystals/oxides/CuO-Tenorite.cif +%%DATADIR%%/crystals/oxides/Fe2O3-Hematite.cif +%%DATADIR%%/crystals/oxides/Fe3O4-Magnetite.cif +%%DATADIR%%/crystals/oxides/FeO-Wustite.cif +%%DATADIR%%/crystals/oxides/GeO2-Argutite-tetrag.cif +%%DATADIR%%/crystals/oxides/GeO2-Argutite.cif +%%DATADIR%%/crystals/oxides/GeO2.cif +%%DATADIR%%/crystals/oxides/HfO2.cif +%%DATADIR%%/crystals/oxides/In2O3-IndiumOxide.cif +%%DATADIR%%/crystals/oxides/In2O3.cif +%%DATADIR%%/crystals/oxides/IrO2.cif +%%DATADIR%%/crystals/oxides/K2O.cif +%%DATADIR%%/crystals/oxides/La2O3-LanthanumOxide-A.cif +%%DATADIR%%/crystals/oxides/Li2O.cif +%%DATADIR%%/crystals/oxides/MgO-Periclase.cif +%%DATADIR%%/crystals/oxides/MnO-Manganosite.cif +%%DATADIR%%/crystals/oxides/MnO2-Pyrolusite.cif +%%DATADIR%%/crystals/oxides/MoO2-Tugarinovite.cif +%%DATADIR%%/crystals/oxides/MoO3-Molybdite.cif +%%DATADIR%%/crystals/oxides/Na2O.cif +%%DATADIR%%/crystals/oxides/NbO.cif +%%DATADIR%%/crystals/oxides/NbO2.cif +%%DATADIR%%/crystals/oxides/NiFe2O4.cif +%%DATADIR%%/crystals/oxides/NiO-Bunsenite.cif +%%DATADIR%%/crystals/oxides/PbO.cif +%%DATADIR%%/crystals/oxides/PbO2-Scrutinyite.cif +%%DATADIR%%/crystals/oxides/PdO.cif +%%DATADIR%%/crystals/oxides/PtO2-beta.cif +%%DATADIR%%/crystals/oxides/Rb2O.cif +%%DATADIR%%/crystals/oxides/Rh2O3.cif +%%DATADIR%%/crystals/oxides/RuO2.cif +%%DATADIR%%/crystals/oxides/Sc2O3.cif +%%DATADIR%%/crystals/oxides/SiO2-Coesite.cif +%%DATADIR%%/crystals/oxides/SiO2-Cristobalite.cif +%%DATADIR%%/crystals/oxides/SiO2-Quartz-alpha.cif +%%DATADIR%%/crystals/oxides/SiO2-Quartz-beta.cif +%%DATADIR%%/crystals/oxides/SiO2-Stishovite.cif +%%DATADIR%%/crystals/oxides/SmO.cif +%%DATADIR%%/crystals/oxides/SnO.cif +%%DATADIR%%/crystals/oxides/SnO2-Cassiterite.cif +%%DATADIR%%/crystals/oxides/SrO.cif +%%DATADIR%%/crystals/oxides/TaO.cif +%%DATADIR%%/crystals/oxides/TiO2-Anatase.cif +%%DATADIR%%/crystals/oxides/TiO2-Brookite.cif +%%DATADIR%%/crystals/oxides/TiO2-Rutile.cif +%%DATADIR%%/crystals/oxides/UO.cif +%%DATADIR%%/crystals/oxides/UO2-Uraninite.cif +%%DATADIR%%/crystals/oxides/V2O3-Karelianite.cif +%%DATADIR%%/crystals/oxides/V2O5-Shcherbinaite.cif +%%DATADIR%%/crystals/oxides/VO.cif +%%DATADIR%%/crystals/oxides/VO2.cif +%%DATADIR%%/crystals/oxides/WO2.cif +%%DATADIR%%/crystals/oxides/Y2O3.cif +%%DATADIR%%/crystals/oxides/YbO.cif +%%DATADIR%%/crystals/oxides/ZnO-Zincite.cif +%%DATADIR%%/crystals/oxides/ZrO.cif +%%DATADIR%%/crystals/oxides/ZrO2-Cubic.cif +%%DATADIR%%/crystals/phosphides/AlP.cif +%%DATADIR%%/crystals/phosphides/BP.cif +%%DATADIR%%/crystals/phosphides/GaP.cif +%%DATADIR%%/crystals/phosphides/InP.cif +%%DATADIR%%/crystals/selenides/Bi2Se3.cif +%%DATADIR%%/crystals/selenides/BiSe.cif +%%DATADIR%%/crystals/selenides/CdSe-Cadmoselite.cif +%%DATADIR%%/crystals/selenides/HgSe-Tiemannite.cif +%%DATADIR%%/crystals/selenides/PbSe-Clausthalite.cif +%%DATADIR%%/crystals/selenides/Sb2Se3-Antimonselite.cif +%%DATADIR%%/crystals/selenides/ZnSe.cif +%%DATADIR%%/crystals/silicates/Be3Al2(SiO3)6-Beryl.cif +%%DATADIR%%/crystals/sulfates/BaSO4-Barite.cif +%%DATADIR%%/crystals/sulfates/CaSO4-2(H2O)-Gypsum.cif +%%DATADIR%%/crystals/sulfates/CaSO4-Anhydrite.cif +%%DATADIR%%/crystals/sulfates/CoSO4.cif +%%DATADIR%%/crystals/sulfates/CuSO4.cif +%%DATADIR%%/crystals/sulfates/MgSO4.cif +%%DATADIR%%/crystals/sulfates/PbSO4-Anglesite.cif +%%DATADIR%%/crystals/sulfates/SrSO4-Celestine.cif +%%DATADIR%%/crystals/sulfides/Bi2S3-Bismuthinite.cif +%%DATADIR%%/crystals/sulfides/CdS-Greenockite.cif +%%DATADIR%%/crystals/sulfides/CdS-Hawleyite.cif +%%DATADIR%%/crystals/sulfides/FeS.cif +%%DATADIR%%/crystals/sulfides/FeS2-Pyrite.cif +%%DATADIR%%/crystals/sulfides/HgS-Metacinnabar.cif +%%DATADIR%%/crystals/sulfides/PbS-Galena.cif +%%DATADIR%%/crystals/sulfides/Sb2S3-Stibnite.cif +%%DATADIR%%/crystals/sulfides/SnS-Herzenbergite.cif +%%DATADIR%%/crystals/sulfides/ZnS-Sphalerite.cif +%%DATADIR%%/crystals/sulfides/ZnS-Wurtzite-2H.cif +%%DATADIR%%/crystals/sulfides/ZnS-Zincblende.cif +%%DATADIR%%/crystals/telurides/Bi2Te3.cif +%%DATADIR%%/crystals/telurides/BiTe.cif +%%DATADIR%%/crystals/telurides/CdTe.cif +%%DATADIR%%/crystals/telurides/PbTe-Altaite.cif +%%DATADIR%%/crystals/telurides/ZnTe.cif +%%DATADIR%%/crystals/titanates/BaTiO3.cif +%%DATADIR%%/crystals/titanates/CaTiO3-Perovskite.cif +%%DATADIR%%/crystals/titanates/Mg2TiO4-Qandilite-cubic.cif +%%DATADIR%%/crystals/titanates/Mg2TiO4-Qandilite-tetrag.cif +%%DATADIR%%/crystals/titanates/MgTiO3.cif +%%DATADIR%%/crystals/titanates/SrTiO3-Tausonite.cif +%%DATADIR%%/crystals/zeolites/ABW.cif +%%DATADIR%%/crystals/zeolites/ACO.cif +%%DATADIR%%/crystals/zeolites/AEI.cif +%%DATADIR%%/crystals/zeolites/AEL.cif +%%DATADIR%%/crystals/zeolites/AEN.cif +%%DATADIR%%/crystals/zeolites/AET.cif +%%DATADIR%%/crystals/zeolites/AFG.cif +%%DATADIR%%/crystals/zeolites/AFI.cif +%%DATADIR%%/crystals/zeolites/AFN.cif +%%DATADIR%%/crystals/zeolites/AFO.cif +%%DATADIR%%/crystals/zeolites/AFR.cif +%%DATADIR%%/crystals/zeolites/AFS.cif +%%DATADIR%%/crystals/zeolites/AFT.cif +%%DATADIR%%/crystals/zeolites/AFX.cif +%%DATADIR%%/crystals/zeolites/AFY.cif +%%DATADIR%%/crystals/zeolites/AHT.cif +%%DATADIR%%/crystals/zeolites/ANA.cif +%%DATADIR%%/crystals/zeolites/APC.cif +%%DATADIR%%/crystals/zeolites/APD.cif +%%DATADIR%%/crystals/zeolites/AST.cif +%%DATADIR%%/crystals/zeolites/ASV.cif +%%DATADIR%%/crystals/zeolites/ATN.cif +%%DATADIR%%/crystals/zeolites/ATO.cif +%%DATADIR%%/crystals/zeolites/ATS.cif +%%DATADIR%%/crystals/zeolites/ATT.cif +%%DATADIR%%/crystals/zeolites/ATV.cif +%%DATADIR%%/crystals/zeolites/AWO.cif +%%DATADIR%%/crystals/zeolites/AWW.cif +%%DATADIR%%/crystals/zeolites/BCT.cif +%%DATADIR%%/crystals/zeolites/BEA.cif +%%DATADIR%%/crystals/zeolites/BEC.cif +%%DATADIR%%/crystals/zeolites/BIK.cif +%%DATADIR%%/crystals/zeolites/BOF.cif +%%DATADIR%%/crystals/zeolites/BOG.cif +%%DATADIR%%/crystals/zeolites/BPH.cif +%%DATADIR%%/crystals/zeolites/BRE.cif +%%DATADIR%%/crystals/zeolites/BSV.cif +%%DATADIR%%/crystals/zeolites/CAN.cif +%%DATADIR%%/crystals/zeolites/CAS.cif +%%DATADIR%%/crystals/zeolites/CDO.cif +%%DATADIR%%/crystals/zeolites/CFI.cif +%%DATADIR%%/crystals/zeolites/CGF.cif +%%DATADIR%%/crystals/zeolites/CGS.cif +%%DATADIR%%/crystals/zeolites/CHA.cif +%%DATADIR%%/crystals/zeolites/CHI.cif +%%DATADIR%%/crystals/zeolites/CLO.cif +%%DATADIR%%/crystals/zeolites/CON.cif +%%DATADIR%%/crystals/zeolites/CZP.cif +%%DATADIR%%/crystals/zeolites/DAC.cif +%%DATADIR%%/crystals/zeolites/DDR.cif +%%DATADIR%%/crystals/zeolites/DFO.cif +%%DATADIR%%/crystals/zeolites/DFT.cif +%%DATADIR%%/crystals/zeolites/DOH.cif +%%DATADIR%%/crystals/zeolites/DON.cif +%%DATADIR%%/crystals/zeolites/EAB.cif +%%DATADIR%%/crystals/zeolites/EDI.cif +%%DATADIR%%/crystals/zeolites/EMT.cif +%%DATADIR%%/crystals/zeolites/EON.cif +%%DATADIR%%/crystals/zeolites/EPI.cif +%%DATADIR%%/crystals/zeolites/ERI.cif +%%DATADIR%%/crystals/zeolites/ESV.cif +%%DATADIR%%/crystals/zeolites/ETR.cif +%%DATADIR%%/crystals/zeolites/EUO.cif +%%DATADIR%%/crystals/zeolites/EZT.cif +%%DATADIR%%/crystals/zeolites/FAR.cif +%%DATADIR%%/crystals/zeolites/FAU.cif +%%DATADIR%%/crystals/zeolites/FER.cif +%%DATADIR%%/crystals/zeolites/FRA.cif +%%DATADIR%%/crystals/zeolites/GIS.cif +%%DATADIR%%/crystals/zeolites/GIU.cif +%%DATADIR%%/crystals/zeolites/GME.cif +%%DATADIR%%/crystals/zeolites/GON.cif +%%DATADIR%%/crystals/zeolites/GOO.cif +%%DATADIR%%/crystals/zeolites/HEU.cif +%%DATADIR%%/crystals/zeolites/IFR.cif +%%DATADIR%%/crystals/zeolites/IHW.cif +%%DATADIR%%/crystals/zeolites/IMF.cif +%%DATADIR%%/crystals/zeolites/IRR.cif +%%DATADIR%%/crystals/zeolites/ISV.cif +%%DATADIR%%/crystals/zeolites/ITE.cif +%%DATADIR%%/crystals/zeolites/ITH.cif +%%DATADIR%%/crystals/zeolites/ITR.cif +%%DATADIR%%/crystals/zeolites/ITV.cif +%%DATADIR%%/crystals/zeolites/ITW.cif +%%DATADIR%%/crystals/zeolites/IWR.cif +%%DATADIR%%/crystals/zeolites/IWS.cif +%%DATADIR%%/crystals/zeolites/IWV.cif +%%DATADIR%%/crystals/zeolites/IWW.cif +%%DATADIR%%/crystals/zeolites/JBW.cif +%%DATADIR%%/crystals/zeolites/JRY.cif +%%DATADIR%%/crystals/zeolites/KFI.cif +%%DATADIR%%/crystals/zeolites/LAU.cif +%%DATADIR%%/crystals/zeolites/LEV.cif +%%DATADIR%%/crystals/zeolites/LIO.cif +%%DATADIR%%/crystals/zeolites/LIT.cif +%%DATADIR%%/crystals/zeolites/LOS.cif +%%DATADIR%%/crystals/zeolites/LOV.cif +%%DATADIR%%/crystals/zeolites/LTA.cif +%%DATADIR%%/crystals/zeolites/LTF.cif +%%DATADIR%%/crystals/zeolites/LTL.cif +%%DATADIR%%/crystals/zeolites/LTN.cif +%%DATADIR%%/crystals/zeolites/MAR.cif +%%DATADIR%%/crystals/zeolites/MAZ.cif +%%DATADIR%%/crystals/zeolites/MEI.cif +%%DATADIR%%/crystals/zeolites/MEL.cif +%%DATADIR%%/crystals/zeolites/MEP.cif +%%DATADIR%%/crystals/zeolites/MER.cif +%%DATADIR%%/crystals/zeolites/MFI.cif +%%DATADIR%%/crystals/zeolites/MFS.cif +%%DATADIR%%/crystals/zeolites/MON.cif +%%DATADIR%%/crystals/zeolites/MOR.cif +%%DATADIR%%/crystals/zeolites/MOZ.cif +%%DATADIR%%/crystals/zeolites/MRE.cif +%%DATADIR%%/crystals/zeolites/MSE.cif +%%DATADIR%%/crystals/zeolites/MSO.cif +%%DATADIR%%/crystals/zeolites/MTF.cif +%%DATADIR%%/crystals/zeolites/MTN.cif +%%DATADIR%%/crystals/zeolites/MTT.cif +%%DATADIR%%/crystals/zeolites/MTW.cif +%%DATADIR%%/crystals/zeolites/MVY.cif +%%DATADIR%%/crystals/zeolites/MWW.cif +%%DATADIR%%/crystals/zeolites/NAB.cif +%%DATADIR%%/crystals/zeolites/NAT.cif +%%DATADIR%%/crystals/zeolites/NES.cif +%%DATADIR%%/crystals/zeolites/NON.cif +%%DATADIR%%/crystals/zeolites/NPO.cif +%%DATADIR%%/crystals/zeolites/NSI.cif +%%DATADIR%%/crystals/zeolites/OBW.cif +%%DATADIR%%/crystals/zeolites/OFF.cif +%%DATADIR%%/crystals/zeolites/OSI.cif +%%DATADIR%%/crystals/zeolites/OSO.cif +%%DATADIR%%/crystals/zeolites/OWE.cif +%%DATADIR%%/crystals/zeolites/PAR.cif +%%DATADIR%%/crystals/zeolites/PAU.cif +%%DATADIR%%/crystals/zeolites/PHI.cif +%%DATADIR%%/crystals/zeolites/PON.cif +%%DATADIR%%/crystals/zeolites/PUN.cif +%%DATADIR%%/crystals/zeolites/RHO.cif +%%DATADIR%%/crystals/zeolites/RON.cif +%%DATADIR%%/crystals/zeolites/RRO.cif +%%DATADIR%%/crystals/zeolites/RSN.cif +%%DATADIR%%/crystals/zeolites/RTE.cif +%%DATADIR%%/crystals/zeolites/RTH.cif +%%DATADIR%%/crystals/zeolites/RUT.cif +%%DATADIR%%/crystals/zeolites/RWR.cif +%%DATADIR%%/crystals/zeolites/RWY.cif +%%DATADIR%%/crystals/zeolites/SAF.cif +%%DATADIR%%/crystals/zeolites/SAO.cif +%%DATADIR%%/crystals/zeolites/SAS.cif +%%DATADIR%%/crystals/zeolites/SAT.cif +%%DATADIR%%/crystals/zeolites/SAV.cif +%%DATADIR%%/crystals/zeolites/SBE.cif +%%DATADIR%%/crystals/zeolites/SBN.cif +%%DATADIR%%/crystals/zeolites/SBS.cif +%%DATADIR%%/crystals/zeolites/SBT.cif +%%DATADIR%%/crystals/zeolites/SFE.cif +%%DATADIR%%/crystals/zeolites/SFF.cif +%%DATADIR%%/crystals/zeolites/SFG.cif +%%DATADIR%%/crystals/zeolites/SFH.cif +%%DATADIR%%/crystals/zeolites/SFN.cif +%%DATADIR%%/crystals/zeolites/SFO.cif +%%DATADIR%%/crystals/zeolites/SFS.cif +%%DATADIR%%/crystals/zeolites/SGT.cif +%%DATADIR%%/crystals/zeolites/SIV.cif +%%DATADIR%%/crystals/zeolites/SOD.cif +%%DATADIR%%/crystals/zeolites/SOF.cif +%%DATADIR%%/crystals/zeolites/SOS.cif +%%DATADIR%%/crystals/zeolites/SSF.cif +%%DATADIR%%/crystals/zeolites/SSY.cif +%%DATADIR%%/crystals/zeolites/STF.cif +%%DATADIR%%/crystals/zeolites/STI.cif +%%DATADIR%%/crystals/zeolites/STO.cif +%%DATADIR%%/crystals/zeolites/STT.cif +%%DATADIR%%/crystals/zeolites/STW.cif +%%DATADIR%%/crystals/zeolites/SVR.cif +%%DATADIR%%/crystals/zeolites/SZR.cif +%%DATADIR%%/crystals/zeolites/TER.cif +%%DATADIR%%/crystals/zeolites/THO.cif +%%DATADIR%%/crystals/zeolites/TOL.cif +%%DATADIR%%/crystals/zeolites/TON.cif +%%DATADIR%%/crystals/zeolites/TSC.cif +%%DATADIR%%/crystals/zeolites/TUN.cif +%%DATADIR%%/crystals/zeolites/UEI.cif +%%DATADIR%%/crystals/zeolites/UFI.cif +%%DATADIR%%/crystals/zeolites/UOS.cif +%%DATADIR%%/crystals/zeolites/UOZ.cif +%%DATADIR%%/crystals/zeolites/USI.cif +%%DATADIR%%/crystals/zeolites/UTL.cif +%%DATADIR%%/crystals/zeolites/UWY.cif +%%DATADIR%%/crystals/zeolites/VET.cif +%%DATADIR%%/crystals/zeolites/VFI.cif +%%DATADIR%%/crystals/zeolites/VNI.cif +%%DATADIR%%/crystals/zeolites/VSV.cif +%%DATADIR%%/crystals/zeolites/WEI.cif +%%DATADIR%%/crystals/zeolites/WEN.cif +%%DATADIR%%/crystals/zeolites/YUG.cif +%%DATADIR%%/crystals/zeolites/ZON.cif +%%DATADIR%%/crystals/zeolites/ZSM-5.cif +%%DATADIR%%/fragments/alcohols/2-aminoethanol.cml +%%DATADIR%%/fragments/alcohols/but-2-yne-1_4-diol.cml +%%DATADIR%%/fragments/alcohols/cyclohexanol.cml +%%DATADIR%%/fragments/alcohols/cyclopentanol.cml +%%DATADIR%%/fragments/alcohols/ethane-1_2-diol.cml %%DATADIR%%/fragments/alcohols/ethanol.cml %%DATADIR%%/fragments/alcohols/methanol.cml %%DATADIR%%/fragments/alcohols/propan-1-ol.cml %%DATADIR%%/fragments/alcohols/propan-2-ol.cml +%%DATADIR%%/fragments/alcohols/propane-1_2_3-triol.cml %%DATADIR%%/fragments/aldehydes/acetaldehyde.cml %%DATADIR%%/fragments/aldehydes/formaldehyde.cml %%DATADIR%%/fragments/alkanes/2-methylpropane.cml +%%DATADIR%%/fragments/alkanes/butane.cml +%%DATADIR%%/fragments/alkanes/decane.cml +%%DATADIR%%/fragments/alkanes/dodecane.cml +%%DATADIR%%/fragments/alkanes/eicosane.cml %%DATADIR%%/fragments/alkanes/ethane.cml +%%DATADIR%%/fragments/alkanes/heptane.cml +%%DATADIR%%/fragments/alkanes/hexadecane.cml +%%DATADIR%%/fragments/alkanes/hexane.cml %%DATADIR%%/fragments/alkanes/methane.cml +%%DATADIR%%/fragments/alkanes/nonane.cml +%%DATADIR%%/fragments/alkanes/octane.cml +%%DATADIR%%/fragments/alkanes/pentadecane.cml +%%DATADIR%%/fragments/alkanes/pentane.cml %%DATADIR%%/fragments/alkanes/propane.cml +%%DATADIR%%/fragments/alkanes/tetracosane.cml +%%DATADIR%%/fragments/alkanes/tetradecane.cml +%%DATADIR%%/fragments/alkanes/tridecane.cml +%%DATADIR%%/fragments/alkanes/undecane.cml +%%DATADIR%%/fragments/alkenes/2-methylbut-2-ene.cml +%%DATADIR%%/fragments/alkenes/2-methylbuta-1_3-diene.cml +%%DATADIR%%/fragments/alkenes/3E-penta-1_3-diene.cml +%%DATADIR%%/fragments/alkenes/3Z-penta-1_3-diene.cml +%%DATADIR%%/fragments/alkenes/3Z_3-ethylhepta-1_3-diene.cml +%%DATADIR%%/fragments/alkenes/E-but-2-ene.cml +%%DATADIR%%/fragments/alkenes/E-hept-2-ene.cml +%%DATADIR%%/fragments/alkenes/E-hept-3-ene.cml +%%DATADIR%%/fragments/alkenes/E-hex-2-ene.cml +%%DATADIR%%/fragments/alkenes/E-hex-3-ene.cml +%%DATADIR%%/fragments/alkenes/E-oct-2-ene.cml +%%DATADIR%%/fragments/alkenes/E-oct-3-ene.cml +%%DATADIR%%/fragments/alkenes/E-oct-4-ene.cml +%%DATADIR%%/fragments/alkenes/E-pent-2-ene.cml +%%DATADIR%%/fragments/alkenes/Z-but-2-ene.cml +%%DATADIR%%/fragments/alkenes/Z-hept-2-ene.cml +%%DATADIR%%/fragments/alkenes/Z-hept-3-ene.cml +%%DATADIR%%/fragments/alkenes/Z-hex-2-ene.cml +%%DATADIR%%/fragments/alkenes/Z-hex-3-ene.cml +%%DATADIR%%/fragments/alkenes/Z-oct-2-ene.cml +%%DATADIR%%/fragments/alkenes/Z-oct-3-ene.cml +%%DATADIR%%/fragments/alkenes/Z-oct-4-ene.cml +%%DATADIR%%/fragments/alkenes/Z-pent-2-ene.cml %%DATADIR%%/fragments/alkenes/but-1-ene.cml %%DATADIR%%/fragments/alkenes/ethene.cml +%%DATADIR%%/fragments/alkenes/hept-1-ene.cml +%%DATADIR%%/fragments/alkenes/hex-1-ene.cml +%%DATADIR%%/fragments/alkenes/oct-1-ene.cml +%%DATADIR%%/fragments/alkenes/pent-1-ene.cml +%%DATADIR%%/fragments/alkenes/propene.cml %%DATADIR%%/fragments/alkynes/acetylene.cml %%DATADIR%%/fragments/alkynes/propyne.cml %%DATADIR%%/fragments/amides/N_N-dimethylacetamide.cml @@ -162,10 +733,22 @@ lib/libavogadro.so.1.0.3 %%DATADIR%%/fragments/amides/acetamide.cml %%DATADIR%%/fragments/amides/ethyl_carbamate.cml %%DATADIR%%/fragments/amides/oxamide.cml +%%DATADIR%%/fragments/amines/1H-azepine.cml +%%DATADIR%%/fragments/amines/2-aminopropane.cml +%%DATADIR%%/fragments/amines/S-sec-butylamine.cml %%DATADIR%%/fragments/amines/ammonia.cml %%DATADIR%%/fragments/amines/azepane.cml +%%DATADIR%%/fragments/amines/diethylamine.cml +%%DATADIR%%/fragments/amines/dimethylamine.cml %%DATADIR%%/fragments/amines/ethylamine.cml %%DATADIR%%/fragments/amines/methylamine.cml +%%DATADIR%%/fragments/amines/piperazine.cml +%%DATADIR%%/fragments/amines/piperidine.cml +%%DATADIR%%/fragments/amines/pyrrolidine.cml +%%DATADIR%%/fragments/amines/tert-butylamine.cml +%%DATADIR%%/fragments/amines/triethylamine.cml +%%DATADIR%%/fragments/amines/triethylenediamine.cml +%%DATADIR%%/fragments/amines/trimethylamine.cml %%DATADIR%%/fragments/amino_acids/D-alanine.cml %%DATADIR%%/fragments/amino_acids/D-allo-threonine.cml %%DATADIR%%/fragments/amino_acids/D-arginine.cml @@ -209,19 +792,43 @@ lib/libavogadro.so.1.0.3 %%DATADIR%%/fragments/amino_acids/L-valine.cml %%DATADIR%%/fragments/amino_acids/glycine.cml %%DATADIR%%/fragments/aromatics/1H-indene.cml +%%DATADIR%%/fragments/aromatics/1H-indole.cml +%%DATADIR%%/fragments/aromatics/1_10-phenanthroline.cml +%%DATADIR%%/fragments/aromatics/1_8-naphthyridine.cml +%%DATADIR%%/fragments/aromatics/2H-chromene.cml +%%DATADIR%%/fragments/aromatics/4H-chromene.cml +%%DATADIR%%/fragments/aromatics/7H-purine.cml +%%DATADIR%%/fragments/aromatics/9H-carbazole.cml +%%DATADIR%%/fragments/aromatics/9H-fluorene.cml +%%DATADIR%%/fragments/aromatics/9H-xanthene.cml +%%DATADIR%%/fragments/aromatics/acenaphthene.cml +%%DATADIR%%/fragments/aromatics/acenaphthenequinone.cml +%%DATADIR%%/fragments/aromatics/acenaphthylene.cml +%%DATADIR%%/fragments/aromatics/acridine.cml %%DATADIR%%/fragments/aromatics/aniline.cml %%DATADIR%%/fragments/aromatics/anisole.cml %%DATADIR%%/fragments/aromatics/anthracene.cml %%DATADIR%%/fragments/aromatics/benzaldehyde.cml %%DATADIR%%/fragments/aromatics/benzene.cml +%%DATADIR%%/fragments/aromatics/benzofuran.cml %%DATADIR%%/fragments/aromatics/benzoic_acid.cml +%%DATADIR%%/fragments/aromatics/benzothiophene.cml %%DATADIR%%/fragments/aromatics/benzoyl_chloride.cml %%DATADIR%%/fragments/aromatics/caffeine.cml +%%DATADIR%%/fragments/aromatics/chromone.cml +%%DATADIR%%/fragments/aromatics/cinnoline.cml +%%DATADIR%%/fragments/aromatics/coumarin.cml +%%DATADIR%%/fragments/aromatics/isoquinoline.cml %%DATADIR%%/fragments/aromatics/naphthalene.cml %%DATADIR%%/fragments/aromatics/nitrobenzene.cml +%%DATADIR%%/fragments/aromatics/phenanthrene.cml %%DATADIR%%/fragments/aromatics/phenol.cml +%%DATADIR%%/fragments/aromatics/phthalimide.cml +%%DATADIR%%/fragments/aromatics/quinazoline.cml +%%DATADIR%%/fragments/aromatics/quinoline.cml +%%DATADIR%%/fragments/aromatics/tetralin.cml %%DATADIR%%/fragments/aromatics/toluene.cml -%%DATADIR%%/fragments/buckminsterfullerene.cml +%%DATADIR%%/fragments/aromatics/uric_acid.cml %%DATADIR%%/fragments/carbamides/urea.cml %%DATADIR%%/fragments/carbohydrates/d-allose.cml %%DATADIR%%/fragments/carbohydrates/d-altrose.cml @@ -252,6 +859,8 @@ lib/libavogadro.so.1.0.3 %%DATADIR%%/fragments/carboxylic_acids/D-lactic_acid.cml %%DATADIR%%/fragments/carboxylic_acids/D-malic_acid.cml %%DATADIR%%/fragments/carboxylic_acids/D-tartaric_acid.cml +%%DATADIR%%/fragments/carboxylic_acids/E-butanoic_acid.cml +%%DATADIR%%/fragments/carboxylic_acids/E-butenedioic_acid.cml %%DATADIR%%/fragments/carboxylic_acids/L-ascorbic_acid.cml %%DATADIR%%/fragments/carboxylic_acids/L-lactic_acid.cml %%DATADIR%%/fragments/carboxylic_acids/L-malic_acid.cml @@ -270,58 +879,82 @@ lib/libavogadro.so.1.0.3 %%DATADIR%%/fragments/coordination/5-square-pyramidal.cml %%DATADIR%%/fragments/coordination/5-trigonal-bipyramidal.cml %%DATADIR%%/fragments/coordination/6-octahedral.cml -%%DATADIR%%/fragments/cyclic alkanes/adamantane.cml -%%DATADIR%%/fragments/cyclic alkanes/cubane.cml -%%DATADIR%%/fragments/cyclic alkanes/cyclobutane.cml -%%DATADIR%%/fragments/cyclic alkanes/cycloheptane.cml -%%DATADIR%%/fragments/cyclic alkanes/cyclohexane.cml -%%DATADIR%%/fragments/cyclic alkanes/cyclopentane.cml -%%DATADIR%%/fragments/cyclic alkanes/cyclopropane.cml -%%DATADIR%%/fragments/cyclic alkanes/norbornane.cml -%%DATADIR%%/fragments/cyclic sugars/alpha-D-allopyranose.cml -%%DATADIR%%/fragments/cyclic sugars/alpha-D-arabinopyranose.cml -%%DATADIR%%/fragments/cyclic sugars/alpha-D-fucopyranose.cml -%%DATADIR%%/fragments/cyclic sugars/alpha-D-galactopyranose.cml -%%DATADIR%%/fragments/cyclic sugars/alpha-D-galacturonopyranose.cml -%%DATADIR%%/fragments/cyclic sugars/alpha-D-glucopyranose.cml -%%DATADIR%%/fragments/cyclic sugars/alpha-D-glucuronopyranose.cml -%%DATADIR%%/fragments/cyclic sugars/alpha-D-gulopyranose.cml -%%DATADIR%%/fragments/cyclic sugars/alpha-D-idopyranose.cml -%%DATADIR%%/fragments/cyclic sugars/alpha-D-lyxopyranose.cml -%%DATADIR%%/fragments/cyclic sugars/alpha-D-mannopyranose.cml -%%DATADIR%%/fragments/cyclic sugars/alpha-D-psicopyranose.cml -%%DATADIR%%/fragments/cyclic sugars/alpha-D-rhamnopyranose.cml -%%DATADIR%%/fragments/cyclic sugars/alpha-D-ribopyranose.cml -%%DATADIR%%/fragments/cyclic sugars/alpha-D-tagatopyranose.cml -%%DATADIR%%/fragments/cyclic sugars/alpha-D-talopyranose.cml -%%DATADIR%%/fragments/cyclic sugars/alpha-D-xylopyranose.cml -%%DATADIR%%/fragments/cyclic sugars/alpha-L-arabinopyranose.cml -%%DATADIR%%/fragments/cyclic sugars/alpha-L-fucopyranose.cml -%%DATADIR%%/fragments/cyclic sugars/alpha-L-galactopyranose.cml -%%DATADIR%%/fragments/cyclic sugars/alpha-L-lyxopyranose.cml -%%DATADIR%%/fragments/cyclic sugars/alpha-L-rhamnopyranose.cml -%%DATADIR%%/fragments/cyclic sugars/alpha-L-ribopyranose.cml -%%DATADIR%%/fragments/cyclic sugars/alpha-L-sorbopyranose.cml -%%DATADIR%%/fragments/cyclic sugars/alpha-L-xylopyranose.cml -%%DATADIR%%/fragments/cyclic sugars/beta-D-allopyranose.cml -%%DATADIR%%/fragments/cyclic sugars/beta-D-arabinopyranose.cml -%%DATADIR%%/fragments/cyclic sugars/beta-D-fructopyranose.cml -%%DATADIR%%/fragments/cyclic sugars/beta-D-fucopyranose.cml -%%DATADIR%%/fragments/cyclic sugars/beta-D-galactopyranose.cml -%%DATADIR%%/fragments/cyclic sugars/beta-D-glucopyranose.cml -%%DATADIR%%/fragments/cyclic sugars/beta-D-gulopyranose.cml -%%DATADIR%%/fragments/cyclic sugars/beta-D-idopyranose.cml -%%DATADIR%%/fragments/cyclic sugars/beta-D-lyxopyranose.cml -%%DATADIR%%/fragments/cyclic sugars/beta-D-mannopyranose.cml -%%DATADIR%%/fragments/cyclic sugars/beta-D-rhamnopyranose.cml -%%DATADIR%%/fragments/cyclic sugars/beta-D-ribopyranose.cml -%%DATADIR%%/fragments/cyclic sugars/beta-D-tagatopyranose.cml -%%DATADIR%%/fragments/cyclic sugars/beta-D-talopyranose.cml -%%DATADIR%%/fragments/cyclic sugars/beta-D-xylopyranose.cml -%%DATADIR%%/fragments/cyclic sugars/beta-L-arabinopyranose.cml -%%DATADIR%%/fragments/cyclic sugars/beta-L-lyxopyranose.cml -%%DATADIR%%/fragments/cyclic sugars/beta-L-ribopyranose.cml -%%DATADIR%%/fragments/cyclic sugars/beta-L-xylopyranose.cml +%%DATADIR%%/fragments/cyclic_alkanes/1R-camphene.cml +%%DATADIR%%/fragments/cyclic_alkanes/1R-camphor.cml +%%DATADIR%%/fragments/cyclic_alkanes/abietic_acid.cml +%%DATADIR%%/fragments/cyclic_alkanes/adamantane.cml +%%DATADIR%%/fragments/cyclic_alkanes/cis-decahydronaphthalene.cml +%%DATADIR%%/fragments/cyclic_alkanes/cubane.cml +%%DATADIR%%/fragments/cyclic_alkanes/cyclobutane.cml +%%DATADIR%%/fragments/cyclic_alkanes/cyclodecane.cml +%%DATADIR%%/fragments/cyclic_alkanes/cycloheptane.cml +%%DATADIR%%/fragments/cyclic_alkanes/cyclohexane-chair.cml +%%DATADIR%%/fragments/cyclic_alkanes/cyclohexane-twist-boat.cml +%%DATADIR%%/fragments/cyclic_alkanes/cyclohexane.cml +%%DATADIR%%/fragments/cyclic_alkanes/cyclononane.cml +%%DATADIR%%/fragments/cyclic_alkanes/cyclooctane.cml +%%DATADIR%%/fragments/cyclic_alkanes/cyclopentane.cml +%%DATADIR%%/fragments/cyclic_alkanes/cyclopropane.cml +%%DATADIR%%/fragments/cyclic_alkanes/norbornane.cml +%%DATADIR%%/fragments/cyclic_alkanes/trans-decahydronaphthalene.cml +%%DATADIR%%/fragments/cyclic_alkenes/Z-cycloheptene.cml +%%DATADIR%%/fragments/cyclic_alkenes/Z-cyclooctene.cml +%%DATADIR%%/fragments/cyclic_alkenes/cyclohepta-1_3-diene.cml +%%DATADIR%%/fragments/cyclic_alkenes/cyclohepta-1_3_5-triene.cml +%%DATADIR%%/fragments/cyclic_alkenes/cyclohepta-1_4-diene.cml +%%DATADIR%%/fragments/cyclic_alkenes/cyclohexa-1_3-diene.cml +%%DATADIR%%/fragments/cyclic_alkenes/cyclohexa-1_4-diene.cml +%%DATADIR%%/fragments/cyclic_alkenes/cyclohexene.cml +%%DATADIR%%/fragments/cyclic_alkenes/cycloocta-1_3-diene.cml +%%DATADIR%%/fragments/cyclic_alkenes/cycloocta-1_3_5-triene.cml +%%DATADIR%%/fragments/cyclic_alkenes/cycloocta-1_3_5_7-tetraene.cml +%%DATADIR%%/fragments/cyclic_alkenes/cyclopenta-1_3-diene.cml +%%DATADIR%%/fragments/cyclic_alkenes/cyclopentene.cml +%%DATADIR%%/fragments/cyclic_sugars/alpha-D-allopyranose.cml +%%DATADIR%%/fragments/cyclic_sugars/alpha-D-arabinopyranose.cml +%%DATADIR%%/fragments/cyclic_sugars/alpha-D-fucopyranose.cml +%%DATADIR%%/fragments/cyclic_sugars/alpha-D-galactopyranose.cml +%%DATADIR%%/fragments/cyclic_sugars/alpha-D-galacturonopyranose.cml +%%DATADIR%%/fragments/cyclic_sugars/alpha-D-glucopyranose.cml +%%DATADIR%%/fragments/cyclic_sugars/alpha-D-glucuronopyranose.cml +%%DATADIR%%/fragments/cyclic_sugars/alpha-D-gulopyranose.cml +%%DATADIR%%/fragments/cyclic_sugars/alpha-D-idopyranose.cml +%%DATADIR%%/fragments/cyclic_sugars/alpha-D-lyxopyranose.cml +%%DATADIR%%/fragments/cyclic_sugars/alpha-D-mannopyranose.cml +%%DATADIR%%/fragments/cyclic_sugars/alpha-D-psicopyranose.cml +%%DATADIR%%/fragments/cyclic_sugars/alpha-D-rhamnopyranose.cml +%%DATADIR%%/fragments/cyclic_sugars/alpha-D-ribopyranose.cml +%%DATADIR%%/fragments/cyclic_sugars/alpha-D-tagatopyranose.cml +%%DATADIR%%/fragments/cyclic_sugars/alpha-D-talopyranose.cml +%%DATADIR%%/fragments/cyclic_sugars/alpha-D-xylopyranose.cml +%%DATADIR%%/fragments/cyclic_sugars/alpha-L-arabinopyranose.cml +%%DATADIR%%/fragments/cyclic_sugars/alpha-L-fucopyranose.cml +%%DATADIR%%/fragments/cyclic_sugars/alpha-L-galactopyranose.cml +%%DATADIR%%/fragments/cyclic_sugars/alpha-L-lyxopyranose.cml +%%DATADIR%%/fragments/cyclic_sugars/alpha-L-rhamnopyranose.cml +%%DATADIR%%/fragments/cyclic_sugars/alpha-L-ribopyranose.cml +%%DATADIR%%/fragments/cyclic_sugars/alpha-L-sorbopyranose.cml +%%DATADIR%%/fragments/cyclic_sugars/alpha-L-xylopyranose.cml +%%DATADIR%%/fragments/cyclic_sugars/beta-D-allopyranose.cml +%%DATADIR%%/fragments/cyclic_sugars/beta-D-arabinopyranose.cml +%%DATADIR%%/fragments/cyclic_sugars/beta-D-fructopyranose.cml +%%DATADIR%%/fragments/cyclic_sugars/beta-D-fucopyranose.cml +%%DATADIR%%/fragments/cyclic_sugars/beta-D-galactopyranose.cml *** DIFF OUTPUT TRUNCATED AT 1000 LINES ***