diff options
Diffstat (limited to 'science')
-rw-r--r-- | science/Makefile | 1 | ||||
-rw-r--r-- | science/mmtk/Makefile | 44 | ||||
-rw-r--r-- | science/mmtk/distinfo | 1 | ||||
-rw-r--r-- | science/mmtk/pkg-comment | 1 | ||||
-rw-r--r-- | science/mmtk/pkg-descr | 11 | ||||
-rw-r--r-- | science/mmtk/pkg-plist | 989 |
6 files changed, 1047 insertions, 0 deletions
diff --git a/science/Makefile b/science/Makefile index 1a58fd0e0f8e..0c155f86aca2 100644 --- a/science/Makefile +++ b/science/Makefile @@ -9,6 +9,7 @@ SUBDIR += glens SUBDIR += libsvm SUBDIR += mayavi + SUBDIR += mmtk SUBDIR += mpqc SUBDIR += mpqc-mpich SUBDIR += oases diff --git a/science/mmtk/Makefile b/science/mmtk/Makefile new file mode 100644 index 000000000000..c10a8268d915 --- /dev/null +++ b/science/mmtk/Makefile @@ -0,0 +1,44 @@ +# New ports collection makefile for: mmtk +# Date created: 29 August 2002 +# Whom: Glenn Johnson <gjohnson@srrc.ars.usda.gov> +# +# $FreeBSD$ +# + +PORTNAME= mmtk +PORTVERSION= 2.2 +CATEGORIES= science python +MASTER_SITES= http://starship.python.net/crew/hinsen/MMTK/ +DISTNAME= MMTK-${PORTVERSION} + +MAINTAINER= gjohnson@srrc.ars.usda.gov + +BUILD_DEPENDS= ${PYTHON_SITELIBDIR}/Scientific:${PORTSDIR}/math/py-scientific +RUN_DEPENDS= ${PYTHON_SITELIBDIR}/Scientific:${PORTSDIR}/math/py-scientific + +USE_REINPLACE= yes +USE_PYTHON= yes +USE_PYDISTUTILS=yes + +.include <bsd.port.pre.mk> + +MAJOR!= ${UNAME} -r | ${SED} -e 's/\..*//' + +PLIST_SUB+= MAJOR=${MAJOR} + +post-patch: + @${REINPLACE_CMD} "s#'Include'#'Include','${PREFIX}/include'#" ${WRKSRC}/setup.py + @${REINPLACE_CMD} "s#malloc.h#stdlib.h#g" ${WRKSRC}/Include/MMTK/readdcd.h + +.if !defined(NOPORTDOCS) +post-install: + @${MKDIR} ${DOCSDIR} + @${INSTALL_DATA} ${WRKSRC}/LICENSE ${DOCSDIR} + @${MKDIR} ${EXAMPLESDIR} + @${TAR} -C ${WRKSRC} -chf - Doc | \ + ${TAR} -xf - -C ${DOCSDIR} + @${TAR} -C ${WRKSRC} -chf - Examples | \ + ${TAR} -xf - -C ${EXAMPLESDIR} +.endif + +.include <bsd.port.post.mk> diff --git a/science/mmtk/distinfo b/science/mmtk/distinfo new file mode 100644 index 000000000000..c835c1f1b25a --- /dev/null +++ b/science/mmtk/distinfo @@ -0,0 +1 @@ +MD5 (MMTK-2.2.tar.gz) = 369df2f12b712cbaf990640a2aa9fac5 diff --git a/science/mmtk/pkg-comment b/science/mmtk/pkg-comment new file mode 100644 index 000000000000..7ebc3c98626e --- /dev/null +++ b/science/mmtk/pkg-comment @@ -0,0 +1 @@ +An Open Source program library for molecular simulation applications diff --git a/science/mmtk/pkg-descr b/science/mmtk/pkg-descr new file mode 100644 index 000000000000..909b5514dcfa --- /dev/null +++ b/science/mmtk/pkg-descr @@ -0,0 +1,11 @@ +This is a port of MMTK (Molecular Modeling ToolKit). In addition to +providing ready-to-use implementations of standard algorithms, MMTK +serves as a code basis that can be easily extended and modified to deal +with standard and non-standard problems in molecular simulations. + +MMTK consists of nothing more than a collection of Python modules, most +of which written in Python itself, with only a small time-critical part +(e.g. energy evaluation) written in C. MMTK applications are Python +programs that make use of these modules. + +WWW: http://starship.python.net/crew/hinsen/MMTK/index.html diff --git a/science/mmtk/pkg-plist b/science/mmtk/pkg-plist new file mode 100644 index 000000000000..d78c51696e72 --- /dev/null +++ b/science/mmtk/pkg-plist @@ -0,0 +1,989 @@ +bin/tviewer +%%PYTHON_SITELIBDIR%%/MMTK/AtomEnvironment.py +%%PYTHON_SITELIBDIR%%/MMTK/AtomEnvironment.pyc +%%PYTHON_SITELIBDIR%%/MMTK/AtomEnvironment.pyo +%%PYTHON_SITELIBDIR%%/MMTK/Biopolymers.py +%%PYTHON_SITELIBDIR%%/MMTK/Biopolymers.pyc +%%PYTHON_SITELIBDIR%%/MMTK/Biopolymers.pyo +%%PYTHON_SITELIBDIR%%/MMTK/Bonds.py +%%PYTHON_SITELIBDIR%%/MMTK/Bonds.pyc +%%PYTHON_SITELIBDIR%%/MMTK/Bonds.pyo +%%PYTHON_SITELIBDIR%%/MMTK/ChargeFit.py +%%PYTHON_SITELIBDIR%%/MMTK/ChargeFit.pyc +%%PYTHON_SITELIBDIR%%/MMTK/ChargeFit.pyo +%%PYTHON_SITELIBDIR%%/MMTK/ChemicalObjects.py +%%PYTHON_SITELIBDIR%%/MMTK/ChemicalObjects.pyc +%%PYTHON_SITELIBDIR%%/MMTK/ChemicalObjects.pyo +%%PYTHON_SITELIBDIR%%/MMTK/Collection.py +%%PYTHON_SITELIBDIR%%/MMTK/Collection.pyc +%%PYTHON_SITELIBDIR%%/MMTK/Collection.pyo +%%PYTHON_SITELIBDIR%%/MMTK/ComplexEnvironment.py +%%PYTHON_SITELIBDIR%%/MMTK/ComplexEnvironment.pyc +%%PYTHON_SITELIBDIR%%/MMTK/ComplexEnvironment.pyo +%%PYTHON_SITELIBDIR%%/MMTK/ConfigIO.py +%%PYTHON_SITELIBDIR%%/MMTK/ConfigIO.pyc +%%PYTHON_SITELIBDIR%%/MMTK/ConfigIO.pyo +%%PYTHON_SITELIBDIR%%/MMTK/CrystalEnvironment.py +%%PYTHON_SITELIBDIR%%/MMTK/CrystalEnvironment.pyc +%%PYTHON_SITELIBDIR%%/MMTK/CrystalEnvironment.pyo +%%PYTHON_SITELIBDIR%%/MMTK/DCD.py +%%PYTHON_SITELIBDIR%%/MMTK/DCD.pyc +%%PYTHON_SITELIBDIR%%/MMTK/DCD.pyo +%%PYTHON_SITELIBDIR%%/MMTK/Database/Atoms/al +%%PYTHON_SITELIBDIR%%/MMTK/Database/Atoms/alanine +%%PYTHON_SITELIBDIR%%/MMTK/Database/Atoms/ar +%%PYTHON_SITELIBDIR%%/MMTK/Database/Atoms/arginine +%%PYTHON_SITELIBDIR%%/MMTK/Database/Atoms/asparagine +%%PYTHON_SITELIBDIR%%/MMTK/Database/Atoms/aspartic_acid +%%PYTHON_SITELIBDIR%%/MMTK/Database/Atoms/c +%%PYTHON_SITELIBDIR%%/MMTK/Database/Atoms/ca +%%PYTHON_SITELIBDIR%%/MMTK/Database/Atoms/ch +%%PYTHON_SITELIBDIR%%/MMTK/Database/Atoms/ch2 +%%PYTHON_SITELIBDIR%%/MMTK/Database/Atoms/ch3 +%%PYTHON_SITELIBDIR%%/MMTK/Database/Atoms/cl +%%PYTHON_SITELIBDIR%%/MMTK/Database/Atoms/cysteine +%%PYTHON_SITELIBDIR%%/MMTK/Database/Atoms/cystine_ss +%%PYTHON_SITELIBDIR%%/MMTK/Database/Atoms/d +%%PYTHON_SITELIBDIR%%/MMTK/Database/Atoms/f +%%PYTHON_SITELIBDIR%%/MMTK/Database/Atoms/fe +%%PYTHON_SITELIBDIR%%/MMTK/Database/Atoms/glutamic_acid +%%PYTHON_SITELIBDIR%%/MMTK/Database/Atoms/glutamine +%%PYTHON_SITELIBDIR%%/MMTK/Database/Atoms/glycine +%%PYTHON_SITELIBDIR%%/MMTK/Database/Atoms/h +%%PYTHON_SITELIBDIR%%/MMTK/Database/Atoms/histidine +%%PYTHON_SITELIBDIR%%/MMTK/Database/Atoms/histidine_deltah +%%PYTHON_SITELIBDIR%%/MMTK/Database/Atoms/histidine_epsilonh +%%PYTHON_SITELIBDIR%%/MMTK/Database/Atoms/histidine_plus +%%PYTHON_SITELIBDIR%%/MMTK/Database/Atoms/isoleucine +%%PYTHON_SITELIBDIR%%/MMTK/Database/Atoms/k +%%PYTHON_SITELIBDIR%%/MMTK/Database/Atoms/leucine +%%PYTHON_SITELIBDIR%%/MMTK/Database/Atoms/lp +%%PYTHON_SITELIBDIR%%/MMTK/Database/Atoms/lysine +%%PYTHON_SITELIBDIR%%/MMTK/Database/Atoms/methionine +%%PYTHON_SITELIBDIR%%/MMTK/Database/Atoms/n +%%PYTHON_SITELIBDIR%%/MMTK/Database/Atoms/nh +%%PYTHON_SITELIBDIR%%/MMTK/Database/Atoms/nh2 +%%PYTHON_SITELIBDIR%%/MMTK/Database/Atoms/nh3 +%%PYTHON_SITELIBDIR%%/MMTK/Database/Atoms/o +%%PYTHON_SITELIBDIR%%/MMTK/Database/Atoms/oh +%%PYTHON_SITELIBDIR%%/MMTK/Database/Atoms/p +%%PYTHON_SITELIBDIR%%/MMTK/Database/Atoms/phenylalanine +%%PYTHON_SITELIBDIR%%/MMTK/Database/Atoms/proline +%%PYTHON_SITELIBDIR%%/MMTK/Database/Atoms/s +%%PYTHON_SITELIBDIR%%/MMTK/Database/Atoms/serine +%%PYTHON_SITELIBDIR%%/MMTK/Database/Atoms/sh +%%PYTHON_SITELIBDIR%%/MMTK/Database/Atoms/si +%%PYTHON_SITELIBDIR%%/MMTK/Database/Atoms/threonine +%%PYTHON_SITELIBDIR%%/MMTK/Database/Atoms/tryptophan +%%PYTHON_SITELIBDIR%%/MMTK/Database/Atoms/tyrosine +%%PYTHON_SITELIBDIR%%/MMTK/Database/Atoms/valine +%%PYTHON_SITELIBDIR%%/MMTK/Database/Atoms/zn +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/ace_beginning_nt +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/adenine +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/ala_sidechain +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/ala_sidechain_noh +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/ala_sidechain_uni +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/ala_sidechain_uni2 +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/ala_sidechain_uni3 +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/alanine +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/alanine_calpha +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/alanine_ct +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/alanine_ct_noh +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/alanine_ct_uni +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/alanine_ct_uni2 +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/alanine_ct_uni3 +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/alanine_noh +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/alanine_nt +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/alanine_nt_noh +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/alanine_nt_uni +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/alanine_nt_uni2 +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/alanine_nt_uni3 +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/alanine_uni +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/alanine_uni2 +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/alanine_uni3 +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/amide +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/amide_uni +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/amide_uni3 +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/arg_sidechain +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/arg_sidechain_noh +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/arg_sidechain_uni +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/arg_sidechain_uni2 +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/arg_sidechain_uni3 +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/arginine +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/arginine_calpha +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/arginine_ct +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/arginine_ct_noh +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/arginine_ct_uni +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/arginine_ct_uni2 +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/arginine_ct_uni3 +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/arginine_noh +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/arginine_nt +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/arginine_nt_noh +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/arginine_nt_uni +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/arginine_nt_uni2 +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/arginine_nt_uni3 +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/arginine_uni +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/arginine_uni2 +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/arginine_uni3 +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/asn_sidechain +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/asn_sidechain_noh +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/asn_sidechain_uni +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/asn_sidechain_uni2 +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/asn_sidechain_uni3 +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/asp_sidechain +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/asp_sidechain_neutral +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/asp_sidechain_noh +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/asp_sidechain_uni +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/asp_sidechain_uni2 +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/asp_sidechain_uni3 +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/asparagine +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/asparagine_calpha +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/asparagine_ct +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/asparagine_ct_noh +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/asparagine_ct_uni +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/asparagine_ct_uni2 +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/asparagine_ct_uni3 +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/asparagine_noh +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/asparagine_nt +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/asparagine_nt_noh +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/asparagine_nt_uni +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/asparagine_nt_uni2 +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/asparagine_nt_uni3 +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/asparagine_uni +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/asparagine_uni2 +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/asparagine_uni3 +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/aspartic_acid +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/aspartic_acid_calpha +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/aspartic_acid_ct +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/aspartic_acid_ct_noh +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/aspartic_acid_ct_uni +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/aspartic_acid_ct_uni2 +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/aspartic_acid_ct_uni3 +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/aspartic_acid_neutral +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/aspartic_acid_noh +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/aspartic_acid_nt +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/aspartic_acid_nt_noh +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/aspartic_acid_nt_uni +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/aspartic_acid_nt_uni2 +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/aspartic_acid_nt_uni3 +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/aspartic_acid_uni +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/aspartic_acid_uni2 +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/aspartic_acid_uni3 +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/bound_heme +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/cym_sidechain +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/cys_sidechain +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/cys_sidechain_noh +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/cys_sidechain_uni +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/cys_sidechain_uni2 +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/cys_sidechain_uni3 +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/cysteine +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/cysteine_calpha +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/cysteine_ct +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/cysteine_ct_noh +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/cysteine_ct_uni +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/cysteine_ct_uni2 +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/cysteine_ct_uni3 +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/cysteine_noh +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/cysteine_nt +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/cysteine_nt_noh +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/cysteine_nt_uni +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/cysteine_nt_uni2 +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/cysteine_nt_uni3 +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/cysteine_uni +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/cysteine_uni2 +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/cysteine_uni3 +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/cysteine_with_negative_charge +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/cystine_ss +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/cystine_ss_calpha +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/cystine_ss_ct +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/cystine_ss_ct_noh +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/cystine_ss_ct_uni +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/cystine_ss_ct_uni2 +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/cystine_ss_ct_uni3 +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/cystine_ss_noh +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/cystine_ss_nt +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/cystine_ss_nt_noh +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/cystine_ss_nt_uni +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/cystine_ss_nt_uni2 +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/cystine_ss_nt_uni3 +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/cystine_ss_uni +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/cystine_ss_uni2 +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/cystine_ss_uni3 +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/cytosine +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/cyx_sidechain +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/cyx_sidechain_noh +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/cyx_sidechain_uni +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/cyx_sidechain_uni2 +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/cyx_sidechain_uni3 +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/d-adenosine +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/d-adenosine_3ter +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/d-adenosine_5ter +%%PYTHON_SITELIBDIR%%/MMTK/Database/Groups/d-adenosine_5ter_3ter 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