| Key | Value |
|---|---|
| FileSize | 1182872 |
| MD5 | A203CE139E896DC88D3D482981E341A3 |
| PackageDescription | Molecular Graphics and Modelling System Avogadro is a molecular graphics and modelling system targetted at molecules and biomolecules. It can visualize properties like molecular orbitals or electrostatic potentials and features an intuitive molecular builder. . Features include: * Molecular modeller with automatic force-field based geometry optimization * Molecular Mechanics including constraints and conformer searches * Visualization of molecular orbitals and general isosurfaces * Support for crystallographic unit cells * Input generation for the Gaussian and GAMESS quantum chemistry packages * Flexible plugin architecture and python scripting . File formats Avogadro can read include PDB, XYZ, CML, CIF, Gaussian output, GAMESS output, Gaussian cube maps and Gaussian formatted checkpoint. |
| PackageMaintainer | Ubuntu MOTU Developers <ubuntu-motu@lists.ubuntu.com> |
| PackageName | avogadro |
| PackageSection | science |
| PackageVersion | 0.8.1-5build2 |
| SHA-1 | 04A5CE2ABA4D7398AB021A2CBEBD5A8C0D54FA4D |
| SHA-256 | 27A3E11F126FE2241C53D1EE27B77280EE0686C9E21970B3590AF3D0253C8AC5 |
| hashlookup:children-total | 223 |
| hashlookup:trust | 50 |
The searched file hash includes 223 children files known and seen by metalookup. A sample is included below:
| Key | Value |
|---|---|
| CRC32 | 6A14308B |
| FileName | ./usr/share/avogadro2/molecules/amino_acids/D-tryptophan.cml |
| FileSize | 4615 |
| MD5 | 907759329C4BDF095D4DCD79A2ABEB5F |
| OpSystemCode | 362 |
| ProductCode | 181156 |
| RDS:package_id | 182052 |
| SHA-1 | 007BB925F57DAC5CC93C9D071E477E77C8A9B321 |
| SHA-256 | 40E71D814735EE08374F662674DB6DD8AB5DF6A308F826877223E8B123FCB0EE |
| SSDEEP | 48:cdMh8r3WxYv1KRgeeKptRroQ1meOBtiuSYJUmcPJz2f8If2XoAfyf:cDWW952Rrok/OBtjEPJz2kI26f |
| SpecialCode | |
| TLSH | T1AE916941FEFC9AE2412985B8FAA61E867FB492CB47D003853286EF765F2054C50DB1F8 |
| db | nsrl_modern_rds |
| insert-timestamp | 1679426575.9192162 |
| source | RDS.db |
| Key | Value |
|---|---|
| FileName | ./usr/lib/avogadro/extensions/libunitcellextension.so |
| FileSize | 47160 |
| MD5 | DC4256C3560D5FF6C26E63D5FE1EC2CC |
| SHA-1 | 029BE3F0F1369E8F467FE950101299DACD218E96 |
| SHA-256 | 3F01F6D22E72C1E88CA252091A886C26D6EE80AF2D9A3FA405DAC416C85BC047 |
| SSDEEP | 768:d1DhqYsGPGlV1nBU7sinJLwonrbS7MAZDnRxJE+wqsFjJqPh:d1DhqYsGuhnBU7HnOp7TZDnRxJE+wqsM |
| TLSH | T1CD23D9A699499457C8E85E36F75F0388F6313EFCE1DA2B02E94C7224184538CBE5DBE1 |
| Key | Value |
|---|---|
| CRC32 | E02459DD |
| FileName | ./usr/share/avogadro2/molecules/ketones/butanone.cml |
| FileSize | 2818 |
| MD5 | 33272EAEEE57F5D3FD76DE7CA492547A |
| OpSystemCode | 362 |
| ProductCode | 181156 |
| RDS:package_id | 182052 |
| SHA-1 | 032B0BB7CE696B69E20AF52D4C2C1A9315372868 |
| SHA-256 | 67FBB2DE48C89807B919695F3AEAA9E3912C385A64FFF9DD5499AC053EB73EA4 |
| SSDEEP | 48:cdMgRxkHdCxLWHTwVHC48c2fhIfJvKb+AfrKbCfVf:eedCNNidc2ZImNNf |
| SpecialCode | |
| TLSH | T1FA51C344FFFC9E6342298575E7A61D827EA9C2C707E01780324A9F799F2054C21E31ED |
| db | nsrl_modern_rds |
| insert-timestamp | 1679426575.5225377 |
| source | RDS.db |
| Key | Value |
|---|---|
| CRC32 | 7DDEB4A9 |
| FileName | ./usr/share/avogadro2/molecules/heteroaromatics/1_3-oxazole.cml |
| FileSize | 2084 |
| MD5 | 6A76AAAED76A33ABA2C190BB9F54320C |
| OpSystemCode | 362 |
| ProductCode | 181156 |
| RDS:package_id | 182052 |
| SHA-1 | 05E1FD42B6BAFC1A147DD7E64067C22F421CB269 |
| SHA-256 | FAB94B51C0B591B51A6FE71302D8B6A2C86F46A47479EC367523BA982977598F |
| SSDEEP | 24:2dOgVeGfAF5xQynXn7fudUGqoAQ36eW6HhvzJYxmqAZNqAZ6AqAZJqAZ5qAZAMK/:cdMIAxQa1tCB2TM/x2fSIf8tKbCfGf |
| SpecialCode | |
| TLSH | T12E41A040FBFC9E53421985B9EBA65D42BEA4D2C707E05781324EAF799F2448C21A35EC |
| db | nsrl_modern_rds |
| insert-timestamp | 1679426575.2322714 |
| source | RDS.db |
| Key | Value |
|---|---|
| CRC32 | F59BCA66 |
| FileName | ./usr/share/avogadro2/molecules/carbohydrates/d-galactose.cml |
| FileSize | 3885 |
| MD5 | 6899F3A56D1AE95FEED686BAF1BF037E |
| OpSystemCode | 362 |
| ProductCode | 181156 |
| RDS:package_id | 182052 |
| SHA-1 | 061236C5F6428B2C2DA0E6D0FA8B8EEBCE14693A |
| SHA-256 | 9BDE9FDE4844DB2DCDF6E6A7987024F9E0D407EE55FC893FF531664D14A9A621 |
| SSDEEP | 48:cdhywQx05GfhcDCXdwidq3L5SL8TM4ynsfz2f7DIIf7gf:VBfOWNhqDLr2zDIIzgf |
| SpecialCode | |
| TLSH | T18C817745FFFC9AA2852D86B8E6A61EC27EB482CB47D047853146AF765F3058C50E70F8 |
| db | nsrl_modern_rds |
| insert-timestamp | 1679426575.4653718 |
| source | RDS.db |
| Key | Value |
|---|---|
| CRC32 | 3C91D915 |
| FileName | ./usr/share/avogadro2/molecules/amino_acids/L-allo-isoleucine.cml |
| FileSize | 3871 |
| MD5 | B253C4CFB7E69D3D78D0F7FBCF2E0402 |
| OpSystemCode | 362 |
| ProductCode | 181156 |
| RDS:package_id | 182052 |
| SHA-1 | 0637BCB7FD11C845CF65769D599247DC4FC98392 |
| SHA-256 | 6E68D4353B3E3AEE38C73C8FA35B8E16D186F47B396AFD39A380625EF9A28B16 |
| SSDEEP | 48:cdMelwexP2K6NdGdrWbpddgCI75Djba4zPTeeLjTnkky2fTIfYXKb+AfOf:sBB2FNdGdgbqCINjuD8Y2LId2f |
| SpecialCode | |
| TLSH | T19E819F40FFFC9EA246298A79EAA61D867EB4D2CB57D00380324A9F765F7058C10D71F8 |
| db | nsrl_modern_rds |
| insert-timestamp | 1679426575.917744 |
| source | RDS.db |
| Key | Value |
|---|---|
| CRC32 | 72B07902 |
| FileName | ./usr/share/avogadro2/molecules/carboxylic_acids/oxalic_acid.cml |
| FileSize | 2052 |
| MD5 | 889225D537DE1EE48348D5AFEDD440AF |
| OpSystemCode | 362 |
| ProductCode | 181156 |
| RDS:package_id | 182052 |
| SHA-1 | 06EFB8C3D3302D61B94067DD31D2E00FF9E5D5C2 |
| SHA-256 | 4C778FC1D4089F6F06297E657641C6DAE05534A77177A4DD7BF54DD5C21496AE |
| SSDEEP | 48:cdM1WexqKdhxgvku+tMYH2fwIft5vKb+Afnf:XZkKoknR2IIFu/f |
| SpecialCode | |
| TLSH | T115419D44FFFC9E53821D86B5A7925D42BEA5D2C703E06781328EAF799F205CC21A35D8 |
| db | nsrl_modern_rds |
| insert-timestamp | 1679426575.7822807 |
| source | RDS.db |
| Key | Value |
|---|---|
| CRC32 | 2ADDBC3E |
| FileName | ./usr/share/avogadro2/molecules/carbohydrates/d-xylulose.cml |
| FileSize | 3381 |
| MD5 | 6B07F3D8E85580C219DED3C117D566FA |
| OpSystemCode | 362 |
| ProductCode | 181156 |
| RDS:package_id | 182052 |
| SHA-1 | 091D676379983B57BF3471FA355D80C22AE76D60 |
| SHA-256 | B185FDF87DECC5D9C4F20A2007DE84CCC9CB4712F9C79C4D78E338555EC63290 |
| SSDEEP | 48:cdhABZxPhQHfi5ZvLBRh4AdKsvx749rmhtaCBkD2fCIf8f:PPvOkRhnr7QetDG2qI0f |
| SpecialCode | |
| TLSH | T1F5615A40FBFC9AA2852D8A78E7961D877EB4D2C757D007843246AF755F2058D20E71F8 |
| db | nsrl_modern_rds |
| insert-timestamp | 1679426575.4714303 |
| source | RDS.db |
| Key | Value |
|---|---|
| CRC32 | 91AAEDD8 |
| FileName | ./usr/share/avogadro2/molecules/heteroaromatics/1_3-thiazole.cml |
| FileSize | 2088 |
| MD5 | 03955A58EDD165A589673EFF437CE55A |
| OpSystemCode | 362 |
| ProductCode | 181156 |
| RDS:package_id | 182052 |
| SHA-1 | 0953706E48936786164A1624AD1D40FE650F479B |
| SHA-256 | 4E6B6F5CE3ECE5FAD60799372FE143825657727C2D022039F827E35174DF1E0B |
| SSDEEP | 24:2dOgVeGAKY5x0yppRn7ipY11YfkghgG5SYxmqAZNqAZ6AqAZJqAZ5qAZAMKqAZaT:cdM60x0GptTigW3TM/x2f+IfVKbCfaf |
| SpecialCode | |
| TLSH | T1CF41C244FBFC9D97421985B4E7A65D42FEA4C2C707E05B80324E9F799F204CC21A75E8 |
| db | nsrl_modern_rds |
| insert-timestamp | 1679426575.23998 |
| source | RDS.db |
| Key | Value |
|---|---|
| CRC32 | 3F0071A7 |
| FileName | ./usr/share/avogadro2/molecules/amino_acids/D-isoleucine.cml |
| FileSize | 3877 |
| MD5 | DA1E3EB38069202EFDFA73F2BE26B1FF |
| OpSystemCode | 362 |
| ProductCode | 181156 |
| RDS:package_id | 182052 |
| SHA-1 | 0CB50481E39AC7D13E9BB0B2061902B6AE779B13 |
| SHA-256 | E5B0EBC8D822665FAE4AEE953BD418EBE47C6FDFD21DD704456E8933FDCB6754 |
| SSDEEP | 48:cdMPlwex9H2K1YqbBB9KyVdMbYO3N1seL82fTIfYXKb+AfOf:FBL2+3BBJqr3bseL82LId2f |
| SpecialCode | |
| TLSH | T1FB817944FEFC9AA285298679EA961DC2BEB4D2CB07E05780324AAF755F3058D10D71F8 |
| db | nsrl_modern_rds |
| insert-timestamp | 1679426575.8748322 |
| source | RDS.db |