Package: libchemistry-openbabel-perl (3.1.1+dfsg-11 and others)

[ Source: openbabel  ]

Kemisk værktøjskassebibliotek - Perlbindinger

Open Babel er en kemisk værktøjskasse, som er designet til at tale mange kemiske data-sprog. Den tillader søgning, konvertering, analyse eller lagring af data fra molekylær modellering, kemi, faste materialer, biokemi eller beslægtede områder. Egenskaber inkluderer:

 * Indsættelse og fjernelse af hydrogen
 * Understøttelse af molekylær-mekanik
 * Understøttelse af SMARTS molekylære syntaks-sammenligninger
 * Automatisk registrering af egenskaber (ringe, bånd, hybridisering,
   aromaticitet)
 * Fleksibel bestemmelse af atomtyper og registrering af atomare
   koordinater med flere bånd
 * Gasteiger-Marsili-beregning af delvis ladning

Filformater som Open Babel understøtter inkluderer PDB, XYZ, CIF, CML, SMILES, MDL Molfile, ChemDraw, Gaussian, GAMESS, MOPAC og MPQC.

Denne pakke indeholder Chemistry::Openbabel, Perlbindingen for Open Babel.

Tags: Software Development: Perl Development, Libraries, Implemented in: implemented-in::c, implemented-in::perl, Role: Development Library

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Download libchemistry-openbabel-perl

Download for all available architectures

Architecture	Version	Package Size	Installed Size	Files
alpha (unofficial port)	3.1.1+dfsg-9+b4	571.7 kB	5,061.0 kB	[list of files]
amd64	3.1.1+dfsg-11+b1	658.2 kB	4,030.0 kB	[list of files]
arm64	3.1.1+dfsg-11+b1	562.5 kB	4,164.0 kB	[list of files]
armel	3.1.1+dfsg-11+b1	598.9 kB	3,828.0 kB	[list of files]
armhf	3.1.1+dfsg-11+b1	626.9 kB	3,080.0 kB	[list of files]
hppa (unofficial port)	3.1.1+dfsg-11+b1	470.2 kB	7,272.0 kB	[list of files]
i386	3.1.1+dfsg-11+b1	615.5 kB	4,312.0 kB	[list of files]
ia64 (unofficial port)	3.1.1+dfsg-9	595.9 kB	7,640.0 kB	[list of files]
m68k (unofficial port)	3.1.1+dfsg-9+b1	635.6 kB	4,177.0 kB	[list of files]
mips64el	3.1.1+dfsg-11+b1	363.3 kB	4,685.0 kB	[list of files]
ppc64 (unofficial port)	3.1.1+dfsg-11+b1	544.0 kB	4,834.0 kB	[list of files]
ppc64el	3.1.1+dfsg-11+b1	572.1 kB	4,548.0 kB	[list of files]
riscv64	3.1.1+dfsg-11+b1	663.3 kB	3,623.0 kB	[list of files]
s390x	3.1.1+dfsg-11+b1	611.9 kB	4,199.0 kB	[list of files]
sh4 (unofficial port)	3.1.1+dfsg-11	633.0 kB	4,015.0 kB	[list of files]
sparc64 (unofficial port)	3.1.1+dfsg-11+b1	493.9 kB	4,467.0 kB	[list of files]
x32 (unofficial port)	3.1.1+dfsg-9+b1	657.7 kB	3,925.0 kB	[list of files]