Key | Value |
---|---|
FileSize | 173168 |
MD5 | 097B6A31A3AF6A857A888326A07ED6CD |
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 | 3.0.0+dfsg-3ubuntu3 |
SHA-1 | 65370D87AF28BDFE1A0EE8A239C342EB9DF53B3E |
SHA-256 | B212433386A1CBF7F5E0135E2762D7BF950D0EF342C135AF1B7D8D7B910BE84A |
hashlookup:children-total | 87 |
hashlookup:trust | 50 |
The searched file hash includes 87 children files known and seen by metalookup. A sample is included below:
Key | Value |
---|---|
FileName | ./usr/include/openbabel3/openbabel/obmolecformat.h |
FileSize | 7341 |
MD5 | 10E53B3476986086721A7A0BCD602D74 |
SHA-1 | 030898C13370223B8ECA8BEB60984FB926A18F11 |
SHA-256 | 9AB4D2BF51E30D9DCCD5290028475AB2A4087133D6929A274CEDDF5B45E3BD06 |
SHA-512 | 457F942E65D1D35C611D51B80D55F6A9E792B9863BA38477C9DC6CF256634975C118F3502170E9D28D3713FED74CF2150EE1E151626595C2F8607D769692EB69 |
SSDEEP | 192:qk6q3jx+1YZq2nv+PS++TS+Pm+E+Ad+qT+HT+xT+Ujll++d+d+I3+U+u+h+T+E+H:qkDtRZU2LMt617kn5F |
TLSH | T1C6E11324B202EC36C85383C36A5119C9D7386516B7DEDB67B46EB2500F8DC29A3B77E4 |
insert-timestamp | 1727006773.8165226 |
mimetype | text/x-c++ |
source | snap:dml71bahCmKEbrG8otY2pVdJERyMAJsf_27 |
Key | Value |
---|---|
CRC32 | BCFBFC0A |
FileName | ./usr/include/openbabel3/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 |
---|---|
FileName | ./usr/include/openbabel3/openbabel/ring.h |
FileSize | 6697 |
MD5 | 3D947A636F55AC89A1401F27A2CC2F0D |
SHA-1 | 07FAD1D25A1D725BDEF9A487E7A18123547EBB2C |
SHA-256 | 2266DE5DBD7E5C163268A094ED19F009985E95402DF16931B77493448DBC5254 |
SHA-512 | F85C37F092D54D007C7629AB9E66D562AD2249E7E3F930530C3BAC484DADB7A8CB4861F910027C46B8B030496F65484D82C70A57327B30569D5F7415A288C2AE |
SSDEEP | 192:nj6q3a4RUHJK9+hph5Q0pNF7/sXsBfT0lLQTC6TmB9Slx0:jDa4RUHJKIhpvQ0pz/8sRCQFe0x0 |
TLSH | T157D15151B4E08E324A37872087DA65C0F34584F7E3A9A700B19FB3242F9F9350A7A6B5 |
insert-timestamp | 1728201817.3815796 |
mimetype | text/x-c++ |
source | snap:e24ZnOQOwOOS0gcGPsbGMxySRAk2oR8Y_105 |
tar:gname | root |
tar:uname | root |
Key | Value |
---|---|
FileName | ./usr/include/openbabel3/openbabel/bitvec.h |
FileSize | 9029 |
MD5 | 203DFA0349D9D5D41EF3060E4CBBB53C |
SHA-1 | 0ECBFEAA11946BADDC026C56E9305C4EF08BF91D |
SHA-256 | 07C30ED71968FB14AA24D9D61A93663AE76B4D84D749A94963B85716CD7E4096 |
SHA-512 | A4D0B897B2E3DAFA443758F81256814CC11CA5092FEE3DF81627DD40D294BA2ADBA37651817B4F40FAF53F651DF1CE788CA41A2850767F87E1CEE2C20AFB7001 |
SSDEEP | 192:yk6q3FekkHDIAWlGjHM71YoNYeJ11u1G0KtsFtjnC99EY:VDFek49ZsZJPufFtsSY |
TLSH | T15612625268A09E737B6783A9972F90C5A3281187F2F4E5A0772E32397F4C82847F61D5 |
insert-timestamp | 1728201817.3027377 |
mimetype | text/x-c++ |
source | snap:e24ZnOQOwOOS0gcGPsbGMxySRAk2oR8Y_105 |
tar:gname | root |
tar:uname | root |
Key | Value |
---|---|
CRC32 | A3D4C092 |
FileName | ./usr/include/openbabel3/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 |
---|---|
FileName | ./usr/include/openbabel3/openbabel/op.h |
FileSize | 5552 |
MD5 | 975F47D4A6A19F117ECB50625F9F0BC0 |
SHA-1 | 14F28CC8ED19033B231BB62FD19F179133D68C5D |
SHA-256 | 07DA067CC2F81E49B0618C6DEA169CE58AFE71BC7EB8D87617C809F96B810E34 |
SHA-512 | 6FDB3C656B601F7D2B6592A9D32190F4BB10B801F432D0861269329ADFA7B7A65A0BC21C414802CAE29710A75C8017AE9DBACBD28EC0066B775128F0637DB68B |
SSDEEP | 96:KS6q/F042zfBk2HUW+QFxheiCAm/pn0yXLQSVv8A3H5/zBENucPKD7CP:Z6q/F048ZkwUjQxheiCAmxnLQSqA35/2 |
TLSH | T111B186992941AF31849300D3638F62D6F339866A737998B238EDB1445F8D87497F36D8 |
insert-timestamp | 1727006773.5517902 |
mimetype | text/x-c++ |
source | snap:dml71bahCmKEbrG8otY2pVdJERyMAJsf_27 |
Key | Value |
---|---|
CRC32 | ACA49312 |
FileName | ./usr/include/openbabel3/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 |
---|---|
FileName | ./usr/include/openbabel3/openbabel/parsmart.h |
FileSize | 12050 |
MD5 | 985365F20386FA8C78DF1607B17475D8 |
SHA-1 | 1758A86752BDB8B1EF48172C616A7964A0177695 |
SHA-256 | 5D97933F2D2B5974A778DA6D5F18C2EE8499796CBA38B98E31E9265059C10143 |
SHA-512 | D1FB75EFC62C84A9DBC6F8319D5CF976F48A633B482167DA3948D0C3C99A6F2F6C2767C9CC760ACA6601FD0C0ADACB530AFC011A9252F5AFCD897487A4B8BCBA |
SSDEEP | 192:oj6q3vLbpiB2XCWalEqA8RIlQOAGQ7r+UQuupHKWRtuAGKR18RnznRnhRL9Ol+pm:IDVCWEA8RIlQdGQ7rdpQHpRtuAGKRqRm |
TLSH | T1BA4293A9E2B2CE61446705F94F9B74C0E352C0A7B7C0D942B88F73302FAB1364E79165 |
insert-timestamp | 1727006773.9184241 |
mimetype | text/x-c++ |
source | snap:dml71bahCmKEbrG8otY2pVdJERyMAJsf_27 |
Key | Value |
---|---|
FileName | ./usr/include/openbabel3/openbabel/tautomer.h |
FileSize | 3181 |
MD5 | 8BB5C686EEF06C52370A0342F3808816 |
SHA-1 | 175AF77F1A0A410A8149AF7FFDA144C402566A95 |
SHA-256 | D45B2E24B17301BC77125C838174FC8D6AF12E453786B9C06AE485775BA121C1 |
SHA-512 | 02B71EF5ED6594615C48A28F125EB0335EB5F7069DE1E9F3D6BB0FA5B3E2669BA5966063113C2CDB19DFA7AEC6259CFCDDC4D1CAB5481679029A953507E11083 |
SSDEEP | 96:CWS6q38K5ci5pN64RNN6SPgGZB1SlxgHWFZrLySNmX:CN6q38K5BpN64RNN6egkBEGWFYSwX |
TLSH | T18661231D18E85EF050C12272DF1AA2F2EB12F55D97688811351DF354AF0DB7E03EAE98 |
insert-timestamp | 1727006773.5763056 |
mimetype | text/x-c++ |
source | snap:dml71bahCmKEbrG8otY2pVdJERyMAJsf_27 |
Key | Value |
---|---|
FileName | ./usr/include/openbabel3/openbabel/plugin.h |
FileSize | 21267 |
MD5 | 642F85C8F8D68583FBB0A3AC1FE9295B |
SHA-1 | 1CC19146572A76307D5B2AB4C894B3FC8ED1B82C |
SHA-256 | 23535C85A478C7724D50AC67E6C80695BF1B40B75CCA831225B7613F917602DB |
SHA-512 | DB5EAC46C7858552DCAF5469A049097D3BD5D165DBE218AB0BFC926D8080690AA968358BB45536EC23634D3D710BDCB88C7BDD4D175CA764E76A6445D8A86302 |
SSDEEP | 384:BbW5DJIjKXEwiktsulE+8SX5CAGQ1fYqTHt90RIIcHCgSvlxxn76dwvT9Eiqi:BbW5DJIefZt/q0oAGQHB90R/xh6dwvmi |
TLSH | T189A2DF057D027731B3D2819CF27E30C5AB96A1719230B8176F7930A5DEAED9143A27DB |
insert-timestamp | 1727006773.5470846 |
mimetype | text/x-c++ |
source | snap:dml71bahCmKEbrG8otY2pVdJERyMAJsf_27 |