Key | Value |
---|---|
FileName | ./usr/share/doc/libopenbabel-dev/html/classOpenBabel_1_1GasteigerState.shtml |
FileSize | 12731 |
MD5 | 83E5CABD2282C1A8FD041A014017F9B6 |
SHA-1 | 0230EA4A0B66D01471D599C4ACDDA00B4AB6889C |
SHA-256 | D071D27E55ACD91487FDEE41E5B1E3CE061B64A2F439584B55A689C2F36DD39A |
SSDEEP | 192:oJniwnyBrlwFeWT2eUoAkjftUR0F60E/CEtJuwJKDkiQtJCAWq2s/SxxbfllJ:oJnHnyA0WTXUodxUEEaEtzKDkiQtylj |
TLSH | T15B42123598D3273BC98770C396AA6FB6B5D0409AC6434404F8FDA6AB4F49EC5D61F02E |
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 | 5128108 |
MD5 | 1D25FC06D6D0C06BD8E33CA1042C0481 |
PackageDescription | Chemical toolbox library (documentation) 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 library documentation. |
PackageMaintainer | Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com> |
PackageName | libopenbabel-doc |
PackageSection | doc |
PackageVersion | 3.1.1+dfsg-5ubuntu1 |
SHA-1 | F69FBA2ADE5D04033C48D075A63BA274B1EEAC33 |
SHA-256 | F858AB8F649D82C111BF8815ACD7D6A72EE39B1C3924ABAABF7AD4D76556B0DF |