Key | Value |
---|---|
FileSize | 4622934 |
MD5 | FCE2C382FA4FEA7E47F9F365FE8F922E |
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 * Visualization of vibrations and plotting of vibrational spectra * Support for crystallographic unit cells * Input generation for the Gaussian, GAMESS and MOLPRO quantum chemistry packages * Flexible plugin architecture and Python scripting . File formats Avogadro can read include PDB, XYZ, CML, CIF, Molden, as well as Gaussian, GAMESS and MOLPRO output. |
PackageMaintainer | Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com> |
PackageName | avogadro |
PackageSection | science |
PackageVersion | 0.9.7-1ubuntu2 |
SHA-1 | 1EF5D55591A411A4BB592BB512A7446EA1F69D2C |
SHA-256 | B80C311A2C9F54FD0CD49CF54FF67A40EC36783E4F2547A57B5DE445978B9731 |
hashlookup:children-total | 422 |
hashlookup:trust | 50 |
The searched file hash includes 422 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 |
---|---|
CRC32 | BE599531 |
FileName | ./usr/share/avogadro2/molecules/cyclic_sugars/beta-D-ribopyranose.cml |
FileSize | 2498 |
MD5 | 87EF422A6FAA07901DF6588B2584AAEA |
OpSystemCode | 362 |
ProductCode | 181156 |
RDS:package_id | 182052 |
SHA-1 | 014D898E0FB2B9339E597A36D5A941A823A5B8FE |
SHA-256 | 977B4439186600BD26121CC5B6C4E8CD54AA88ED1F52A40503FBAB439AFA0496 |
SSDEEP | 24:jgFs3ukbl55/J9vdaq7Cr+ravsOk8RCkL5tqU6dcL9g2egIYch0Za3jG5q7YLYeP:cDkt63bfui/4S2wv |
SpecialCode | |
TLSH | T14751F981FB6C56A1C62D85B8FA461EC7B7A8C2CB5BC043952122FF75A73454D90E70F8 |
db | nsrl_modern_rds |
insert-timestamp | 1679426575.3634765 |
source | RDS.db |
Key | Value |
---|---|
FileName | ./usr/share/avogadro/i18n/avogadro_ru.qm |
FileSize | 23490 |
MD5 | BC062004400B475C2C15F8B2B1221917 |
SHA-1 | 01AE21D16CD85768C5B84160A2F27A674BF5971F |
SHA-256 | 78F5C5182E5DC1177FFF509EE6B4483F96D86B21F161A714B5C8AE4725FD02F5 |
SSDEEP | 384:TKwr52AV72MOriJnkNau1QERwBQeUb66SomHq:xUAF2MIiJnkNau1Q0wBQeUbZvmK |
TLSH | T1F5B22F463475D7A2E576C67C4B8342DEA20B70691220548FF60DFE74585C0763BB3AEE |
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 |
---|---|
FileName | ./usr/share/avogadro/i18n/avogadro_fr.qm |
FileSize | 23151 |
MD5 | F378A6193FF21234048F9DE9B0010A6B |
SHA-1 | 03D9B0F4D77306EED294E4D175F870840FD6F631 |
SHA-256 | 6753897CD63A194D27C6F81A29FEBA76C2C8A5FE74EA0AE31E0784DADA3E4A09 |
SSDEEP | 384:AnPqzJb2qvCSoXcmNrM963JbUDbsNr2uIG0bekTt6O:88Jb22CvJLrwG0v |
TLSH | T18EA2E04132F496AAF6F72E7C6AB7024DDB37387A1A30D10F1650E1681C64941ADB377B |
Key | Value |
---|---|
FileName | ./usr/lib/avogadro/extensions/unitcellextension.so |
FileSize | 43140 |
MD5 | 5D6F38102B1E03D7421FC564F70025D8 |
SHA-1 | 04883E69B84D9EBB832119F8B7C78CBA95EE8B88 |
SHA-256 | 0C3A039C3A8EEBE1721494DC8D94D85B755228B4BA5A0FD13D88670872404769 |
SSDEEP | 768:7Stq3stP9bNqM2pk5iQTGUyKYRxJE+wqsVgo6U:7StqulbNq8jGUy5RxJE+wqsV |
TLSH | T18713E586E049A627C9E88E3EB68F0BDD72113DECD6963F03A80D67541D902B94F07F61 |
Key | Value |
---|---|
CRC32 | 46C7120C |
FileName | ./usr/share/avogadro/builder/amino/d-ser.zmat |
FileSize | 753 |
MD5 | 63836163B08B5705292D751649921CEA |
OpSystemCode | 362 |
ProductCode | 181156 |
RDS:package_id | 182052 |
SHA-1 | 051FD5BC5ACF23BE801D2D82B25A571A02498B0D |
SHA-256 | CFB569A9759A2BAE2C4965356A0005E6545C1AB0FDD854BB528BA224D926B3F1 |
SSDEEP | 12:ANN//xIhVbcqSPSXCc/hLuNORtBtSCsLWzJ9+xDzQF/mn8D5KIvAfn:DyqSWHt9GD0NE8rYn |
SpecialCode | |
TLSH | T1AC018F976E4C7884F87CC9965842319E021C761B09EB999B338CAFC19BB98044BCF400 |
db | nsrl_modern_rds |
insert-timestamp | 1679426577.7939103 |
source | RDS.db |
Key | Value |
---|---|
FileName | ./usr/lib/avogadro/tools/autoopttool.so |
FileSize | 51320 |
MD5 | E1EC6B77DA73702565436126EA87F9E2 |
SHA-1 | 05D458296AE2AE35D070DDC0346278647BDF08A3 |
SHA-256 | B5C2EFFE1EF74B71D608BF08486692AA904CE991447B3781592247BAC02B7830 |
SSDEEP | 768:p+W1XuX4Eg6Hu5hN5CsN/m7ZFefFK7G3+ed/fa/fhO4vDv35hcryDZm:H1eX4EgSu58sN/m7ZF084uJZ |
TLSH | T15033E787F942DDE3CAD01B74B39B6BC837162A98D1D93B13BC1CA3441E8DA9E8D14791 |
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 |