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Perl module which generates a three-dimensional molecular structure from a

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connection table, such as that obtained by a 2D representation of the
molecule or from a SMILES string.

WWW:	http://search.cpan.org/dist/Chemistry-3DBuilder/

PR:		ports/145143
Submitted by:	Steve Wills <steve at mouf.net
This commit is contained in:
Martin Wilke 2010-04-02 15:33:52 +00:00
parent 7edfd85264
commit 4eb372dfc7
Notes: svn2git 2021-03-31 03:12:20 +00:00 
svn path=/head/; revision=252056
5 changed files with 47 additions and 0 deletions
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1
science/Makefile
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@ -102,6 +102,7 @@
SUBDIR += openbabel
SUBDIR += ovt
SUBDIR += p5-Algorithm-SVMLight
SUBDIR += p5-Chemistry-3DBuilder
SUBDIR += p5-Chemistry-Bond-Find
SUBDIR += p5-Chemistry-Canonicalize
SUBDIR += p5-Chemistry-Elements

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science/p5-Chemistry-3DBuilder/Makefile Normal file
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# New ports collection makefile for: p5-Chemistry-3DBuilder
# Date created: 2010-03-10
# Whom: Steve Wills <steve@mouf.net
#
# $FreeBSD$
#
PORTNAME= Chemistry-3DBuilder
PORTVERSION= 0.10
CATEGORIES= science perl5
MASTER_SITES= CPAN
MASTER_SITE_SUBDIR= ../../authors/id/I/IT/ITUB
PKGNAMEPREFIX= p5-
MAINTAINER= steve@mouf.net
COMMENT= Generate 3D coordinates from a connection table
BUILD_DEPENDS= ${SITE_PERL}/Chemistry/Mol.pm:${PORTSDIR}/science/p5-Chemistry-Mol \
${SITE_PERL}/Chemistry/File/SMILES.pm:${PORTSDIR}/science/p5-Chemistry-File-SMILES \
${SITE_PERL}/Chemistry/File/SMARTS.pm:${PORTSDIR}/science/p5-Chemistry-File-SMARTS \
${SITE_PERL}/Chemistry/Ring.pm:${PORTSDIR}/science/p5-Chemistry-Ring \
${SITE_PERL}/Chemistry/InternalCoords.pm:${PORTSDIR}/science/p5-Chemistry-InternalCoords \
${SITE_PERL}/Math/VectorReal.pm:${PORTSDIR}/math/p5-Math-VectorReal
RUN_DEPENDS= ${SITE_PERL}/Chemistry/Mol.pm:${PORTSDIR}/science/p5-Chemistry-Mol \
${SITE_PERL}/Chemistry/File/SMILES.pm:${PORTSDIR}/science/p5-Chemistry-File-SMILES \
${SITE_PERL}/Chemistry/File/SMARTS.pm:${PORTSDIR}/science/p5-Chemistry-File-SMARTS \
${SITE_PERL}/Chemistry/Ring.pm:${PORTSDIR}/science/p5-Chemistry-Ring \
${SITE_PERL}/Chemistry/InternalCoords.pm:${PORTSDIR}/science/p5-Chemistry-InternalCoords \
${SITE_PERL}/Math/VectorReal.pm:${PORTSDIR}/math/p5-Math-VectorReal
PERL_CONFIGURE= yes
MAN3= Chemistry::3DBuilder.3
.include <bsd.port.mk>

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science/p5-Chemistry-3DBuilder/distinfo Normal file
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MD5 (Chemistry-3DBuilder-0.10.tar.gz) = 8fbb023204871ef7e24b702f4f3f3f82
SHA256 (Chemistry-3DBuilder-0.10.tar.gz) = 4515d172739b022df2a661156ac09e52ec276f0e5545bc24592a3572dc6974f3
SIZE (Chemistry-3DBuilder-0.10.tar.gz) = 4648

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science/p5-Chemistry-3DBuilder/pkg-descr Normal file
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Perl module which generates a three-dimensional molecular structure from a
connection table, such as that obtained by a 2D representation of the
molecule or from a SMILES string.
WWW: http://search.cpan.org/dist/Chemistry-3DBuilder/

3
science/p5-Chemistry-3DBuilder/pkg-plist Normal file
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%%SITE_PERL%%/mach/auto/Chemistry/3DBuilder/.packlist
%%SITE_PERL%%/Chemistry/3DBuilder.pm
@dirrmtry %%SITE_PERL%%/mach/auto/Chemistry/3DBuilder