Key | Value |
---|---|
FileName | ./usr/share/doc/python3-openbabel/examples/energy.py |
FileSize | 1180 |
MD5 | 0E882D812A6B7CEFB05E5E15FE893F63 |
SHA-1 | 4079E342650AB6230959809641E01636D7E732D6 |
SHA-256 | 6359C38AFA06D8641205F7E56E5E30FA523FB815EACD5D39BFE4DA4C048E11EE |
SSDEEP | 24:gy3+RJHx+gYtgMGjz5gIMMzVv8m0GStNE7ZVYEszuqLJspIFD6:gyuRFx+XtgTa/RrtC7ntscpIFD6 |
TLSH | T16E21F31BB9A63E71D3023340F04674A44B5B6CE82D533C40C25E40D52962F7DB967F99 |
hashlookup:parent-total | 1 |
hashlookup:trust | 55 |
The searched file hash is included in 1 parent files which include package known and seen by metalookup. A sample is included below:
Key | Value |
---|---|
FileSize | 555664 |
MD5 | 8A8FBEECE6B39EA029AED30533022F61 |
PackageDescription | Chemical toolbox library (Python bindings) 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 contains the Python binding. |
PackageMaintainer | Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com> |
PackageName | python3-openbabel |
PackageSection | python |
PackageVersion | 3.0.0+dfsg-3ubuntu3 |
SHA-1 | 5401494C8A0FC189B46953C66F68B5AA7A869372 |
SHA-256 | BED097882A1685D5786E47789A06F4B09E21EC5D36989AFB76DEB317D9F74FF2 |