Key | Value |
---|---|
FileName | ./usr/share/doc/openbabel/examples/dioxin.mol2 |
FileSize | 2365 |
MD5 | BED16F86296E91D077A3323D3C07AF3A |
SHA-1 | EEC899F8CFA1F8846EB6C209B409F799DC45E1A1 |
SHA-256 | 6112A94A456CE3CE1514F95F3A14F7E2DA1E0A58582DC8E21458874C0C401B6B |
SSDEEP | 24:ycYiOoCjeQ48N8wPTXWfwqHLF8A8UwI7qO/hLHSTmx8F0Fe3FV/9i7VFJocZR3c:yVt7mwPTGf5KjU17Xyiau25i7VFV3c |
TLSH | T1B2419E172FAD6342B22DE1B254B284462B79E2131812BC3675CC6EC15F7BE482FEE419 |
hashlookup:parent-total | 118 |
hashlookup:trust | 100 |
The searched file hash is included in 118 parent files which include package known and seen by metalookup. A sample is included below:
Key | Value |
---|---|
MD5 | C7A8A6778A00B1F7888BE7F854F31322 |
PackageArch | armv5tel |
PackageDescription | Open Babel is a free, open-source version of the Babel chemistry file translation program. Open Babel is a project designed to pick up where Babel left off, as a cross-platform program and library designed to interconvert between many file formats used in molecular modeling, computational chemistry, and many related areas. This package contains the C++ library, which includes all of the file-translation code. |
PackageMaintainer | Fedora Project |
PackageName | openbabel-libs |
PackageRelease | 6.fc18 |
PackageVersion | 2.3.1 |
SHA-1 | 05A70178C417CA8B7D16A0BE1349D0C29913ADE5 |
SHA-256 | 075549F71A3E02B1994BAA05F866F1A34535F343A3509E651E718DF7E6778EA4 |
Key | Value |
---|---|
MD5 | E7B9052652DC3770711C8F22F12D82E1 |
PackageArch | i586 |
PackageDescription | Open Babel is a project designed to pick up where Babel left off, as a cross-platform program and library designed to interconvert between many file formats used in molecular modeling and computational chemistry. |
PackageMaintainer | wally <wally> |
PackageName | openbabel |
PackageRelease | 14.mga8 |
PackageVersion | 2.4.1 |
SHA-1 | 09228ECF00C5483999B22F9F71170EAD1D2F5753 |
SHA-256 | ABEAF3AC5047B9B8232904FCE13234240258ECE1CBEC1654103BC1E2CC2BE906 |
Key | Value |
---|---|
FileSize | 92896 |
MD5 | 7D9447AFB4DA62A6E8FFA54D2C5A0A33 |
PackageDescription | 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: * babel: 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 |
PackageMaintainer | Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com> |
PackageName | openbabel |
PackageSection | science |
PackageVersion | 2.3.2+dfsg-1.1 |
SHA-1 | 0BEA794C3D13A8D5BA0808C87FC7D02338155721 |
SHA-256 | 7262990E5AD1F45FF72169B386E81BBBAD44D2936E129548F48ED6D9B60161C7 |
Key | Value |
---|---|
MD5 | 9F846F1D0027F6D08EB7FCAD8E44CAB2 |
PackageArch | noarch |
PackageDescription | This package contains additional documentation for Open Babel. |
PackageMaintainer | Fedora Project |
PackageName | openbabel-doc |
PackageRelease | 2.fc20 |
PackageVersion | 2.3.2 |
SHA-1 | 0EEB448D24805BA2D8E31D6685EE9F703D84542B |
SHA-256 | 28567D95AD2A7528171A4A89C4F266FCC20E55C1CC4580B11082759B354024C1 |
Key | Value |
---|---|
MD5 | DEC940395474FFCA0091FF031E7ED3F5 |
PackageArch | ppc64 |
PackageDescription | Open Babel is a free, open-source version of the Babel chemistry file translation program. Open Babel is a project designed to pick up where Babel left off, as a cross-platform program and library designed to interconvert between many file formats used in molecular modeling, computational chemistry, and many related areas. This package contains the C++ library, which includes all of the file-translation code. |
PackageMaintainer | Koji |
PackageName | openbabel-libs |
PackageRelease | 4.fc17 |
PackageVersion | 2.3.1 |
SHA-1 | 0F597866017CCE8FC2E61DD54499378B4EE8E761 |
SHA-256 | 61200707720E9D700CDFC4460648864647A01F0406C44DA1F68B3B08D8C5B11E |
Key | Value |
---|---|
MD5 | 89CF99A3062B728D783B31126B2FAC71 |
PackageArch | noarch |
PackageDescription | This package contains additional documentation for Open Babel. |
PackageMaintainer | Fedora Project |
PackageName | openbabel-doc |
PackageRelease | 0.6.20150402gita345105.fc23 |
PackageVersion | 2.3.90 |
SHA-1 | 11FA8B87A51D7C279E409B246C34C27E0C6253D0 |
SHA-256 | AB9F6985D1D30183E0587C2FFAF5C1919183B0D89209607486D69BE6A30866C0 |
Key | Value |
---|---|
FileSize | 259534 |
MD5 | EEA1EC1338240369888391811267A4E7 |
PackageDescription | 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: * babel: 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 |
PackageMaintainer | Debichem Team <debichem-devel@lists.alioth.debian.org> |
PackageName | openbabel |
PackageSection | science |
PackageVersion | 2.3.2+dfsg-3 |
SHA-1 | 13609C45B00BAA68DC6F3EA542C850A72841BFE6 |
SHA-256 | 29BD75EF896FDF109C96C45D96D406939BB2D2F28FC5D3CC835BD0F2A0A7C139 |
Key | Value |
---|---|
MD5 | B21A83F731F8895580D6C24DAE3BB5F9 |
PackageArch | s390x |
PackageDescription | Open Babel is a free, open-source version of the Babel chemistry file translation program. Open Babel is a project designed to pick up where Babel left off, as a cross-platform program and library designed to interconvert between many file formats used in molecular modeling, computational chemistry, and many related areas. This package contains the C++ library, which includes all of the file-translation code. |
PackageMaintainer | Fedora Project |
PackageName | openbabel-libs |
PackageRelease | 3.fc15 |
PackageVersion | 2.3.0 |
SHA-1 | 144B12F045109E1F1BC61D73AE4D776FDF85B11C |
SHA-256 | 040EAF5796FA4539C07E5EA5927E3E1CF958FA49680778136CE75FBFB70C0FE0 |
Key | Value |
---|---|
FileSize | 122788 |
MD5 | 7A519FD0B947C6BE99330DF6C23F4934 |
PackageDescription | 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: * babel: 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 |
PackageMaintainer | Debichem Team <debichem-devel@lists.alioth.debian.org> |
PackageName | openbabel |
PackageSection | science |
PackageVersion | 2.4.1+dfsg-3 |
SHA-1 | 15E0AD382E513CAC60A04E18019BF9EED250B306 |
SHA-256 | BDD26EBFE8AFCB846530ECAB8A8E480C8B4E065EC4227D641953FC93851D2986 |
Key | Value |
---|---|
MD5 | 2D7F3505F053937FBA0876754F2E2A8B |
PackageArch | noarch |
PackageDescription | This package contains additional documentation for Open Babel. |
PackageMaintainer | Fedora Project |
PackageName | openbabel-doc |
PackageRelease | 11.fc22 |
PackageVersion | 2.3.2 |
SHA-1 | 1B16150C1F96DC86296ED8056A335D12CFFDC417 |
SHA-256 | 4E5E1BC5F09C450CE255775CB9EF70D1A79BD42A0E74C9DEAE8B136159871FFF |