[ Source: indigo ]
Package: libindigo0d (1.2.3-3.1 and others)
Links for libindigo0d
Debian Resources:
Download Source Package indigo:
Maintainers:
External Resources:
- Homepage [lifescience.opensource.epam.com]
Similar packages:
Værktøjssæt 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.
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Download libindigo0d
Architecture | Version | Package Size | Installed Size | Files |
---|---|---|---|---|
amd64 | 1.2.3-3.1 | 2,304.4 kB | 7,349.0 kB | [list of files] |
arm64 | 1.2.3-3.1 | 1,891.1 kB | 6,722.0 kB | [list of files] |
armel | 1.2.3-3.1 | 1,853.1 kB | 6,202.0 kB | [list of files] |
armhf | 1.2.3-3.1 | 1,903.0 kB | 4,646.0 kB | [list of files] |
i386 | 1.2.3-3.1 | 2,329.3 kB | 7,676.0 kB | [list of files] |
mips64el | 1.2.3-3.1 | 1,761.7 kB | 8,452.0 kB | [list of files] |
ppc64el | 1.2.3-3.1 | 2,170.4 kB | 8,726.0 kB | [list of files] |
riscv64 | 1.2.3-3.1+b1 | 2,270.5 kB | 6,193.0 kB | [list of files] |
s390x | 1.2.3-3.1 | 1,980.6 kB | 7,218.0 kB | [list of files] |