openbabel binary package in Ubuntu Noble riscv64
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:
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* 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
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File formats Open Babel supports include PDB, XYZ, CIF, CML, SMILES, MDL
Molfile, ChemDraw, Gaussian, GAMESS, MOPAC and MPQC.
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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
Publishing history
Date | Status | Target | Component | Section | Priority | Phased updates | Version | ||
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2024-04-04 22:13:42 UTC | Published | Ubuntu Noble riscv64 | release | universe | science | Optional | 3.1.1+dfsg-9ubuntu5 | ||
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Deleted | Ubuntu Noble riscv64 | proposed | universe | science | Optional | 3.1.1+dfsg-9ubuntu5 | |||
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2024-04-06 12:10:12 UTC | Deleted | Ubuntu Noble riscv64 | updates | universe | science | Optional | 3.1.1+dfsg-9ubuntu2 | ||
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2024-04-04 22:25:23 UTC | Superseded | Ubuntu Noble riscv64 | release | universe | science | Optional | 3.1.1+dfsg-9ubuntu4 | ||
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2024-04-06 12:10:12 UTC | Deleted | Ubuntu Noble riscv64 | proposed | universe | science | Optional | 3.1.1+dfsg-9ubuntu4 | ||
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2024-03-29 03:56:46 UTC | Superseded | Ubuntu Noble riscv64 | release | universe | science | Optional | 3.1.1+dfsg-9ubuntu2 | ||
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2024-04-06 12:10:12 UTC | Deleted | Ubuntu Noble riscv64 | proposed | universe | science | Optional | 3.1.1+dfsg-9ubuntu2 | ||
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2024-02-23 21:06:01 UTC | Superseded | Ubuntu Noble riscv64 | release | universe | science | Optional | 3.1.1+dfsg-9ubuntu1 | ||
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2024-02-25 00:10:14 UTC | Deleted | Ubuntu Noble riscv64 | proposed | universe | science | Optional | 3.1.1+dfsg-9ubuntu1 | ||
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2024-02-14 00:10:17 UTC | Deleted | Ubuntu Noble riscv64 | proposed | universe | science | Optional | 3.1.1+dfsg-9ubuntu2 | ||
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2024-01-20 11:30:37 UTC | Superseded | Ubuntu Noble riscv64 | proposed | universe | science | Optional | 3.1.1+dfsg-9ubuntu1 | ||
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2024-01-14 11:59:50 UTC | Superseded | Ubuntu Noble riscv64 | proposed | universe | science | Optional | 3.1.1+dfsg-9build3 | ||
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2024-02-15 04:35:19 UTC | Superseded | Ubuntu Noble riscv64 | release | universe | science | Optional | 3.1.1+dfsg-9build2 | ||
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