[ 原始碼: openbabel ]
套件:openbabel(3.1.1+dfsg-9 以及其他的)
openbabel 的相關連結
Debian 的資源:
下載原始碼套件 openbabel:
- [openbabel_3.1.1+dfsg-9.dsc]
- [openbabel_3.1.1+dfsg.orig.tar.xz]
- [openbabel_3.1.1+dfsg-9.debian.tar.xz]
維護小組:
外部的資源:
- 主頁 [openbabel.sourceforge.net]
相似套件:
Chemical toolbox utilities (cli)
Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It allows one to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas. Features include:
* Hydrogen addition and deletion * Support for Molecular Mechanics * Support for SMARTS molecular matching syntax * Automatic feature perception (rings, bonds, hybridization, aromaticity) * Flexible atom typer and perception of multiple bonds from atomic coordinates * Gasteiger-Marsili partial charge calculation
File formats Open Babel supports include PDB, XYZ, CIF, CML, SMILES, MDL Molfile, ChemDraw, Gaussian, GAMESS, MOPAC and MPQC.
This package includes the following utilities:
* obabel: Convert between various chemical file formats * obenergy: Calculate the energy for a molecule * obminimize: Optimize the geometry, minimize the energy for a molecule * obgrep: Molecular search program using SMARTS pattern * obgen: Generate 3D coordinates for a molecule * obprop: Print standard molecular properties * obfit: Superimpose two molecules based on a pattern * obrotamer: Generate conformer/rotamer coordinates * obconformer: Generate low-energy conformers * obchiral: Print molecular chirality information * obrotate: Rotate dihedral angle of molecules in batch mode * obprobe: Create electrostatic probe grid
其他與 openbabel 有關的套件
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- dep: libc6 (>= 2.34)
- GNU C 函式庫:共用函式庫
同時作為一個虛擬套件由這些套件填實: libc6-udeb
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- dep: libgcc-s1 (>= 3.0) [除 armel, armhf]
- GCC 支援函式庫
- dep: libgcc-s1 (>= 3.5) [armel, armhf]
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- dep: libopenbabel7 (>= 3.1.1+dfsg)
- Chemical toolbox library
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- dep: libstdc++6 (>= 11)
- GNU Standard C++ Library v3
下載 openbabel
硬體架構 | 版本 | 套件大小 | 安裝後大小 | 檔案 |
---|---|---|---|---|
amd64 | 3.1.1+dfsg-9+b3 | 122。0 kB | 608。0 kB | [檔案列表] |
arm64 | 3.1.1+dfsg-9+b3 | 115。3 kB | 1,389。0 kB | [檔案列表] |
armel | 3.1.1+dfsg-9+b3 | 117。5 kB | 1,370。0 kB | [檔案列表] |
armhf | 3.1.1+dfsg-9+b3 | 117。7 kB | 1,370。0 kB | [檔案列表] |
i386 | 3.1.1+dfsg-9+b3 | 125。6 kB | 609。0 kB | [檔案列表] |
mips64el | 3.1.1+dfsg-9+b3 | 121。4 kB | 1,408。0 kB | [檔案列表] |
mipsel | 3.1.1+dfsg-9+b3 | 121。2 kB | 1,389。0 kB | [檔案列表] |
ppc64el | 3.1.1+dfsg-9+b3 | 122。2 kB | 1,389。0 kB | [檔案列表] |
s390x | 3.1.1+dfsg-9+b3 | 115。4 kB | 556。0 kB | [檔案列表] |