Result for 5276F9353B897B0406266BDA58657C1B1DA9E61D

Query result

Key Value
FileSize127168
MD507CD161CD16CCFF3E125C84B02AC864A
PackageDescriptionChemical 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: * 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
PackageMaintainerUbuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com>
PackageNameopenbabel
PackageSectionscience
PackageVersion3.0.0+dfsg-3ubuntu3
SHA-15276F9353B897B0406266BDA58657C1B1DA9E61D
SHA-256BA668550980642B5FEB46F7DC1D8537C0CE973275D3115E4A6AFF26E8E75A681
hashlookup:children-total44
hashlookup:trust50

Network graph view

Children (Total: 44)

The searched file hash includes 44 children files known and seen by metalookup. A sample is included below:

Key Value
FileName./usr/bin/obfitall
FileSize27104
MD5AEB5D3D349F5A71FE811D59DB3092FAA
SHA-106247857972866B7579FBB6E8453D27DA0EF2783
SHA-256AFD65DBE9A882D56344FEB47D97D5CA39B936183FD4D6AE32603666665B71727
SSDEEP768:8cJFvpSYQog4wIAYQog4wIALjbzrD7TLjbzrD7TLjbzrD7TLjbzrD7T+2OGSmhoe:8uGozP5fMmnXm/
TLSHT1E2C2F80BF6615E3DCAC4F731468B52226730BC59F570066F0F84967B29A7B6C4A3AF12
Key Value
FileName./usr/share/man/man1/obtautomer.1.gz
FileSize785
MD55088C5C07C13F63FA520B67603F5B2C6
SHA-11573C51872A608CC5B66A2311E683E2B75B3401E
SHA-25614CCB97FEB1B788D6F2B5B7A64791C935F201801B74F3CEBA3D3BDC7AB9A1DC1
SSDEEP24:XcRshFS/ZPGN4ls3WUF21j3cTgHOG/nCJ:XjhFS/ZPGN4loF2t4wCJ
TLSHT10401C53841006EE9F3C43B0250A1B4705AD31039C4548018EE08766BFE503A4B5F40E0
Key Value
FileName./usr/share/man/man1/obrotate.1.gz
FileSize1533
MD551F25D2633C1F9AC13D3FC755EF1511C
SHA-11DFD071C30F83D874A9E1D8E7ABEF52E307C4CC2
SHA-2564FEBCBA6D7A4CFA733B729A81677E18025408BD5316C365AF3187B15F0209ECF
SSDEEP24:Xpxmnl3y7pErGQX8ETkPVjbDHMErZHiAYGwrhCq5hKtjDdUzxLqnpCPfArrh:XpolCFmrXNkPVzlHKGw17gjJumsXAJ
TLSHT1B031D7C36A7C80881136A69290C84CA1578DB60D384CC18C931C9D568CB8DFFEF5ADEB
Key Value
FileName./usr/share/man/man1/obchiral.1.gz
FileSize871
MD5C8237B5ADFCEF1E1BAD0D6B7A2C8A33C
SHA-125C9069481D2D5B8891FF4B86771835DEFE18172
SHA-256D49AC180BA03222E6ABFB06CD49C6283BC30602DCBBE83B388AC9A94891412E9
SSDEEP24:X+u1ddrqfxJluEojMcWBe5NK6qjebGLYk827lMIGX:XDdAJrupWBIK8bGLYk827mIGX
TLSHT102111AE6D8473411CF5EC3A2D09029C2EFFEC74400C5324D651D056FDFEE092698168E
Key Value
FileName./usr/share/doc/python3-openbabel/copyright
FileSize33658
MD5489DB032286C4A140B51B3BCECDDC72C
SHA-12EA457138FDC3DC4D3A326E7B9E2FB4A032D3EB2
SHA-25619AC3D1F3C8EE11475F3B18B455CE0356FCAE22B2C9AEFBAEBFFED9F8994CCF5
SSDEEP768:TlbBtLd+hIGopxZHb3HlMNoMN4tSQuMSthwTuk66Nbi+GshB4NmDC5bRAZHU:xFtLd+hIGopxHb/iFnAGMD4RAU
TLSHT196E2E72E6B0103B31AD212D1364E94DFE32BA17D327B5950708DC199272B93653FB6F9
Key Value
FileName./usr/bin/obprobe
FileSize27104
MD5601A40BF9833B52E1C61583E67BF2F2F
SHA-12FC25D91CC5A3C596D07508A29D8B57A1D8728A7
SHA-25666C3FF459F86C9381FD95B56A24968DD3AAA6A00E99FCC24BE59FA5FE774CE3D
SSDEEP768:XAUt6atLD7zrjbTLD7zrjbTLD7zrjbTLDuGe2Om+WuGe2Om+WuGe2Om+WuGe2Omp:XAUcXQwbFm
TLSHT1D0C2E80BE9525F3CD8C0F7318ACB5423A630FCA8F9B1065F5E88D27619937686A36F45
Key Value
FileName./usr/bin/obenergy
FileSize22928
MD5326638CFC0E4690D83AFEA107E3325F3
SHA-1337F21559E9AF68B086B7825AEB40F60C742357A
SHA-2569EDC2B2B94C6BB454D79DCB5925B6D66BF16844BB9B3DEBAF49A625D2EF5A8D3
SSDEEP384:velOqi3zLp79iAYwIg4QoAYwIg4QoAYwIgo5QoAYw7zrjbTLD7zrjbTLD7zrjbpa:O2niAYwIg4QoAYwIg4QoAYwIgo5QoAYT
TLSHT170A2C80BFA526E3DCCD4F331898B91227230BCA4F570162F1B54E3361AA376A9936B55
Key Value
FileName./usr/share/man/man1/obfit.1.gz
FileSize1227
MD58F1A8AC4F4FCA805E289574A387130F7
SHA-13D71F34843F644ADA93975B4DD27283C5B1662E7
SHA-2568A1AD183F77486CB9C843E13661634C3AD109BBAAB5D8ACA4FBBC1C26DBDE302
SSDEEP24:XDONJI0nMbeVK2hq/e0k1Ibl6Wds0jmyoRY1UoiF7D8ugAk8KPZKm:XaM0qb1/t3b0Wds0jmyoRdoOD8ubklPf
TLSHT152211AB7C83F6D27D1507C115901E4F2EF1CA02F824950CC9F0CDAE4913DA57146AED8
Key Value
FileName./usr/bin/obsym
FileSize18832
MD5AE5A5ED07EBDC95589BD4E74F1DFFFCB
SHA-14404534EABCDA51DC52EE170B77CBE1597F41633
SHA-256760941D44B392F17C32984952ABB99D3CDD3617138F82F3A50B84AEDE437D253
SSDEEP384:7Y6decSiGXT7ifqC6SKiayqC6SKiVtl91NFdVtl91NFdVtPYimm:7Y9bKfqC6SKiayqC6SKiVtl91NFdVtlH
TLSHT1CC82755BEA419F3DC9D4B335828B863133719C5CA6720B1F4E48927A2D93F5E1A36F90
Key Value
FileName./usr/share/man/man1/obenergy.1.gz
FileSize1006
MD5D1623107272CB366EF5AFFB4F7148D2F
SHA-14CC4DBAC65BAD658C8B2E1CA6B6F5750D965D8A5
SHA-256B138C1A91F74D7312B0497E7178D2C8636836FCBF1173639AB0E8B4305C184EA
SSDEEP24:X24LkS2Jfsa+sjpxzVaW6oblAUomwOLYNuBmznk:X24LWs8jpZG6YN6mw
TLSHT10611940EF7A0283828B2F1A436D947297CDAE09C93887B44949A6E051A1E6BB4472C38