Key | Value |
---|---|
FileSize | 157346 |
MD5 | 15BAEB8267368AE0DAA0BD433C9A7551 |
PackageDescription | Chemical toolbox library (development files) 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 static library and the header files. |
PackageMaintainer | Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com> |
PackageName | libopenbabel-dev |
PackageSection | libdevel |
PackageVersion | 2.3.2+dfsg-3build1 |
SHA-1 | 1DC549E57F77C4C16F221A03A2135F508C9E8C4E |
SHA-256 | 193CF406BEC7280FC60F3379F75E616E448EACB410331A786AF5FD6FC7FDF9C0 |
hashlookup:children-total | 76 |
hashlookup:trust | 50 |
The searched file hash includes 76 children files known and seen by metalookup. A sample is included below:
Key | Value |
---|---|
CRC32 | BCFBFC0A |
FileName | ./usr/include/openbabel-2.0/openbabel/internalcoord.h |
FileSize | 2804 |
MD5 | 6F8CF795C4477CF65E2511D6F077063C |
OpSystemCode | 362 |
ProductCode | 181156 |
SHA-1 | 044D327E5EF9710931A9479C68B3527E11474C32 |
SHA-256 | D1F07C293A12E342680A51B41EC9E7BA0CB58FDC2BCB6A26647C42E627C5C228 |
SHA-512 | 57ED352BF6A031FE739E871D2487107348D13277EA1B7BEB479ACCA25FFF6B3D4B5A6A2FFFD05D867556965AD82337921361F9BC4EC54FA0B71ADFB26A332286 |
SSDEEP | 48:Liac2rcLS6cp/iyZH14+CXvEOXesB4MXqNjzVhSPgjUKi+NRsGDR+7jb:L5LmS6q36vVeCXq1b9NRsGDkP |
SpecialCode | |
TLSH | T18F51B71D75958D75CBA18092068A24D2D108859723DEEA09319FF3841FCE7688AFC78C |
db | nsrl_modern_rds |
insert-timestamp | 1727006773.8437161 |
mimetype | text/x-c++ |
source | snap:dml71bahCmKEbrG8otY2pVdJERyMAJsf_27 |
Key | Value |
---|---|
CRC32 | E02F3CB1 |
FileName | ./usr/include/openbabel-2.0/openbabel/residue.h |
FileSize | 14008 |
MD5 | 7C34BB36A7954DE7A00DD6FF06A93226 |
OpSystemCode | 362 |
ProductCode | 181156 |
SHA-1 | 049D37112F55DD103D37CA064D13239ACEC7A652 |
SHA-256 | EBB0D3155EF0DFFFFEFB62972A1E4080D3A468DFFB699C8B7E220701642486F3 |
SSDEEP | 384:XDgS2bHbDl/nRZvCT5oxWvhQF7me+n4cFS:XDgSCHZRxO5ox2QF7meH |
SpecialCode | |
TLSH | T11D5264256CB0CF60597A81A31B0FB0C0941094B7EA95ED54B0CFB2988F5E22D5BF19FE |
db | nsrl_modern_rds |
insert-timestamp | 1646979503.9137657 |
source | NSRL |
Key | Value |
---|---|
CRC32 | 569BFD86 |
FileName | ./usr/include/openbabel-2.0/openbabel/fingerprint.h |
FileSize | 7664 |
MD5 | 09709D65F975BB97730BF38DBA241062 |
OpSystemCode | 362 |
ProductCode | 181156 |
SHA-1 | 05B916FB5E83F6BED8F9189BF5DE5FCF97D018A0 |
SHA-256 | B2D6B90E350386A11B5B138FFE227A2495110934E777D5C8F2D741163C7FCC3A |
SSDEEP | 192:S6q3jP1D1RXuAzI4jaH4uGxVfGk4wMBTUIQpyarH9bBJAObGtr:SDD1D1RXuAzI4mH4fx0sMyca71BJAObE |
SpecialCode | |
TLSH | T174F154993060AC32542701D2C3861BC6961E856EF7E4EA70715FB12C2FCE854ABFE786 |
db | nsrl_modern_rds |
insert-timestamp | 1646979903.1778104 |
source | NSRL |
Key | Value |
---|---|
CRC32 | DF1FA3FA |
FileName | ./usr/include/openbabel-2.0/openbabel/math/align.h |
FileSize | 7552 |
MD5 | D2CA44698FD8BBDDFE5C16A107781C0D |
OpSystemCode | 362 |
ProductCode | 181156 |
SHA-1 | 0E8F060A6EF3595B6571B116C9E6B2C8405E2799 |
SHA-256 | 97B494726D39B82A324FDFB412740FC47F97631C31A45C208252D561B98B9FE0 |
SSDEEP | 192:DW6q31/Zk0IDMwe8jzGsNqkHpVUyeUUmyjIPxSiVZuztfPOaiu7pi3egxCDDfK:DWD1/Z0DxRG4HbUx7xP9rgxCDDfK |
SpecialCode | |
TLSH | T1C8F1DA0A24E09EA74D221591A30F2AD2D34191EF72E5D854349FB32C2F4DFF21BB66D2 |
db | nsrl_modern_rds |
insert-timestamp | 1646983063.7047834 |
source | NSRL |
Key | Value |
---|---|
CRC32 | 8853C276 |
FileName | ./usr/include/openbabel-2.0/openbabel/patty.h |
FileSize | 2292 |
MD5 | CDBC133693B38DF5D603A54272BF5C2D |
OpSystemCode | 362 |
ProductCode | 181156 |
SHA-1 | 10F3EE2F9C882B6725882694806DADD284E82D02 |
SHA-256 | 276FFEC400E41FFE1EB31983DF5523E1DA17FB6A9E8011B9062480F463784743 |
SSDEEP | 48:+acHS6cp/iyZHadDHMOyFeORakqdKbRAQ7xUpRDouoj3g:14S6q3adDHMOBOR4dK1AQ7mnDouoLg |
SpecialCode | |
TLSH | T1DF41645504E26EA4C9535014DA6E10D3B321C88773DC99A0F70FB1489F4E6788FF92AE |
db | nsrl_modern_rds |
insert-timestamp | 1646984100.2852392 |
source | NSRL |
Key | Value |
---|---|
CRC32 | A3D4C092 |
FileName | ./usr/include/openbabel-2.0/openbabel/locale.h |
FileSize | 1520 |
MD5 | E705AFC231EFBF1F59F9781CEDAB515B |
OpSystemCode | 362 |
ProductCode | 181156 |
SHA-1 | 149AB5F562C95B241F60C3A009D7CD32B0BE988A |
SHA-256 | DBFBCBCEDA319503E6B75F12AB3A30624C6ADEE5228D5E67151855A591B4A858 |
SHA-512 | DE8B2C42A5BACC21BB57D2003806C376E5E8B8B4B47E724DCE92EE4F20AA18BBDD5C130F551EA9784D233B9214A8E0EAC28CCF23F867436AFBE29DC85A584D30 |
SSDEEP | 24:EDjffNS1Ut+m2p/WtyPOkHMl6+2QZBkj/h5r2Jkgyn3fz1eyQ9bQH8Ijf9:EXf1S6cp/iyZHOzkLlgCbIyQWff9 |
SpecialCode | |
TLSH | T106316259E883CEB7A40583D96A8370DAA227968B331E7C02106FF1551D0CB6D1AFA284 |
db | nsrl_modern_rds |
insert-timestamp | 1728201817.3261278 |
mimetype | text/x-c++ |
source | snap:e24ZnOQOwOOS0gcGPsbGMxySRAk2oR8Y_105 |
tar:gname | root |
tar:uname | root |
Key | Value |
---|---|
CRC32 | 1A2268C3 |
FileName | ./usr/include/openbabel-2.0/openbabel/inchiformat.h |
FileSize | 9589 |
MD5 | 639A1E8740D71BE608392BF7D09ED381 |
OpSystemCode | 362 |
ProductCode | 181156 |
SHA-1 | 15F8916F8D578FC28F78D6D555E921D64A8350EC |
SHA-256 | 5ECB533D0B2D8E8319EA40855C2DA748E189A398A00F8F57AF1ABF9A955543A4 |
SSDEEP | 192:H0Fq33+s+2+E+s+6+8+l+v+XIG5EByyWPUByWY43HCA+YB6Q+Jfl+p:H0qE5jyWPGKz+p |
SpecialCode | |
TLSH | T11712C511F7A18DF248DB02D35A8E53D4AB249223327A9D21B81F762C1F4E85943F27DC |
db | nsrl_modern_rds |
insert-timestamp | 1646986297.4096456 |
source | NSRL |
Key | Value |
---|---|
CRC32 | ACA49312 |
FileName | ./usr/include/openbabel-2.0/openbabel/math/transform3d.h |
FileSize | 2397 |
MD5 | E04D38F9225C7646933AF213430FB781 |
OpSystemCode | 362 |
ProductCode | 181156 |
SHA-1 | 17431A16615F65DC5C2B306E601959CAE501482B |
SHA-256 | D33D940EE5173AE80EE86675D200F1E3B999A9DB9EF5D4BC48E551FD0672AD8B |
SHA-512 | 3D8851DC5E5089ED62466F3F5D7E1F142065A97C9FF9D3ADA4440BB467DD13CF407F41EF05F3E1F5135B28F84ED6839DED6ECEEE9A98CEE89A3CBD359CF88960 |
SSDEEP | 24:eSqS1Ut+XE7WtyPOkHMlGma3dBywGQeDPAveaGzFY+FYGs5/72iL1IY8ncPFvCiR:IS6iE7iyZHgn6WabrGu/72ihLVQ9iZtn |
SpecialCode | |
TLSH | T16841EF1878E0CD31D98302A7A2C61AC66A1DD2C3A18944FFBB4DB5492F4D4391FB6B56 |
db | nsrl_modern_rds |
insert-timestamp | 1728201817.6242995 |
mimetype | text/x-c++ |
source | snap:e24ZnOQOwOOS0gcGPsbGMxySRAk2oR8Y_105 |
tar:gname | root |
tar:uname | root |
Key | Value |
---|---|
CRC32 | B7CD143F |
FileName | ./usr/include/openbabel-2.0/openbabel/groupcontrib.h |
FileSize | 2985 |
MD5 | 4403621905FBE2E83B3019766C81391F |
OpSystemCode | 362 |
ProductCode | 181156 |
SHA-1 | 1937936233CAE60F59313C8C66710098BE652CA5 |
SHA-256 | 6C96CE5B4FF7AA6A01BE4602EC1054B1F297052B8D40AB138A02B20BD66E1558 |
SSDEEP | 48:dlJUSTn9S6cp/iyZH1il3l1mWPJdiGr+Zk5V1G757+bMVYFH2mVG0CXYH/Sg:x/Tn9S6q31ilV1mmJdQpuGYFHprhx |
SpecialCode | |
TLSH | T18D51641CE8708F61CEC101D6578784C6F3059383F2689963758EB5101FCC96AE9F369A |
db | nsrl_modern_rds |
insert-timestamp | 1646987743.6372085 |
source | NSRL |
Key | Value |
---|---|
FileName | ./usr/share/doc/python-openbabel/copyright |
FileSize | 12210 |
MD5 | 671E494037A190691DB732DD018226C6 |
SHA-1 | 1E28C421A071EFFCF7676E5C3984C7686A986109 |
SHA-256 | 46518C899A042FF6D2C9D00D8EDDDE6C5D040B62B286765A3879C6DAC3F7AD96 |
SSDEEP | 192:8l1B6d/RoIQ9h0QHnrRHb3HEMN4tSQuMSRR:EB6d/RoIQ9h0srRHb3HEMN4tSQuMSRR |
TLSH | T10F42C40E3D40C77B3AD023E1390950DEE327779B726D9491B04EC28A9B0AA7613F75E8 |