| Key | Value |
|---|---|
| FileSize | 93748 |
| MD5 | AE1058E390B7BA814BE4D5CB784EBE0B |
| PackageDescription | Chemical toolbox utilities (graphical user interface) 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 openbabel GUI based on wxWidgets. |
| PackageMaintainer | Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com> |
| PackageName | openbabel-gui |
| PackageSection | science |
| PackageVersion | 3.0.0+dfsg-3ubuntu3 |
| SHA-1 | B74B5161E048A850CB4DF8B544FB3D8051B2AC8E |
| SHA-256 | 29F4683BFE6009A61DE4A20DDCFACB88533ECB9295E0BFC7D15A5E6989FCCD05 |
| hashlookup:children-total | 3 |
| hashlookup:trust | 50 |
The searched file hash includes 3 children files known and seen by metalookup. A sample is included below:
| Key | Value |
|---|---|
| CRC32 | 8474AFC4 |
| FileName | ./usr/share/man/man1/obgui.1.gz |
| FileSize | 451 |
| MD5 | 5B0B9E592F248A3A1F2997FAECCC0786 |
| OpSystemCode | 362 |
| ProductCode | 181156 |
| SHA-1 | 2956DDE3D9F93365422C4990EFDD9D20CFE2EC9C |
| SHA-256 | 7A2771FA126F99543D1DAE3D25D4B3DF490670BED0F2B5056DB4DE594FC6151A |
| SSDEEP | 6:Xtl0mvyXyJhvdZFwm0dD3yj90aXOKkrH6KbUwMi5E7IlQujWSHStkp/sPrO68WEq:XfXqKhCD3HHnzdEsBy+RiOCuvOd |
| SpecialCode | |
| TLSH | T143F0230C057511A0F5CA90F6FE42170BB997AACEFE2A7CD244BD27368C3C235E671418 |
| db | nsrl_modern_rds |
| insert-timestamp | 1646993731.982095 |
| source | NSRL |
| Key | Value |
|---|---|
| FileName | ./usr/bin/obgui |
| FileSize | 376776 |
| MD5 | 55920F4117B91608BC6BF59061D1C33D |
| SHA-1 | 15044E0222939995BEDE75EED198653BE2A7CD26 |
| SHA-256 | A9E4A1FE88107DC6E886117005D755FA2CBE2F61499A14C13F150A07AB207FEB |
| SSDEEP | 6144:CfbjgzcTGvSLC/r/lMNonJlFx1uuxZRr6AUp0MmNxwemlpHV2vCx:IXGvSe/r/+Nw1U0MbZH |
| TLSH | T16F84D71BFF418C3CC8D89A744AFB43116930F8DD9331A25F2A8C5B6A1E9376C5A39791 |
| Key | Value |
|---|---|
| FileName | ./usr/share/doc/python3-openbabel/copyright |
| FileSize | 33658 |
| MD5 | 489DB032286C4A140B51B3BCECDDC72C |
| SHA-1 | 2EA457138FDC3DC4D3A326E7B9E2FB4A032D3EB2 |
| SHA-256 | 19AC3D1F3C8EE11475F3B18B455CE0356FCAE22B2C9AEFBAEBFFED9F8994CCF5 |
| SSDEEP | 768:TlbBtLd+hIGopxZHb3HlMNoMN4tSQuMSthwTuk66Nbi+GshB4NmDC5bRAZHU:xFtLd+hIGopxHb/iFnAGMD4RAU |
| TLSH | T196E2E72E6B0103B31AD212D1364E94DFE32BA17D327B5950708DC199272B93653FB6F9 |