[ Source: indigo ]
Package: indigo-utils (1.2.3-3.1 and others)
Links for indigo-utils
Debian Resources:
Download Source Package indigo:
Maintainers:
External Resources:
- Homepage [lifescience.opensource.epam.com]
Similar packages:
Redskaber for organisk kemi
Indigo er et C++-baseret programmiljø for organisk kemi og kemiinformatik. Inkluderede funktioner:
* Molekyle- og reaktionsoptegning inklusive SVG-understøttelse * Automatisk layout for SMILES-repræsenterede molekyler og reaktioner * Kanonisk (isomerisk) SMILES-beregning * Præcis matchning, matchning af understruktur, SMARTS-matchning * Matchning af tautomerer og resonansstrukturer * Molekylefingeraftryk, beregning af molekylelighed * Hurtig enumeration af SSSR-ringe, undertræer og kant-sugraphs * Molekylær vægt, molekylær formelberegning * R-Group dekonvolution og scaffold-detektion * Beregning af den præcise maksimale fælles understruktur for en arbitrær mængde af inddatastrukturer * Kombinatorisk kemi * Understøttelse af udvidelsesmoduler i API'en
Filformater som Indigo understøtter inkluderer MDL Mol, SDF, RDF, CML, SMILES og SMARTS.
Denne pakke indeholder de følgende redskaber:
* indigo-depict: Optegningsredskab for molekyle og reaktion * indigo-cano: Kanonisk SMILES-opretter * indigo-deco: R-Group deconvolution-redskab * chemdiff: Visuel sammenligning af to SDF- eller SMILES-filer (kræver JAVA-bibliotekerne)
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Download indigo-utils
Architecture | Version | Package Size | Installed Size | Files |
---|---|---|---|---|
alpha (unofficial port) | 1.2.3-3.1 | 34.7 kB | 123.0 kB | [list of files] |
amd64 | 1.2.3-3.1 | 34.8 kB | 127.0 kB | [list of files] |
arm64 | 1.2.3-3.1 | 34.2 kB | 119.0 kB | [list of files] |
armel | 1.2.3-3.1 | 33.2 kB | 108.0 kB | [list of files] |
armhf | 1.2.3-3.1 | 33.3 kB | 104.0 kB | [list of files] |
i386 | 1.2.3-3.1 | 35.7 kB | 124.0 kB | [list of files] |
ia64 (unofficial port) | 1.2.3-3.1 | 38.1 kB | 141.0 kB | [list of files] |
m68k (unofficial port) | 1.2.3-3.1+b1 | 32.3 kB | 111.0 kB | [list of files] |
mips64el | 1.2.3-3.1 | 33.8 kB | 117.0 kB | [list of files] |
ppc64 (unofficial port) | 1.2.3-3.1 | 36.2 kB | 261.0 kB | [list of files] |
ppc64el | 1.2.3-3.1 | 37.5 kB | 259.0 kB | [list of files] |
riscv64 | 1.2.3-3.1+b1 | 33.6 kB | 114.0 kB | [list of files] |
s390x | 1.2.3-3.1 | 33.9 kB | 115.0 kB | [list of files] |
sh4 (unofficial port) | 1.2.3-3.1+b1 | 34.8 kB | 255.0 kB | [list of files] |
sparc64 (unofficial port) | 1.2.3-3.1 | 33.5 kB | 127.0 kB | [list of files] |