Key | Value |
---|---|
FileSize | 4650530 |
MD5 | D029057675B72FB31A18C0925391ECCC |
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 | 59F76CD1AEE33E1AF9CE25F7E8D1F1D0864EBA1D |
SHA-256 | 4B5F08566D4C53B492341089DE963FC8615C96524B8702682BC14F05304365C6 |
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 |
---|---|
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/lib/avogadro/engines/overlayengine.so |
FileSize | 22968 |
MD5 | 756ABA7D1810354AC99AD69693204769 |
SHA-1 | 039B8832AEBF15E2855AA11EBB7031536693C6E4 |
SHA-256 | 8CD891791D4C2655FE73F5A713EF13A81261AE791DCC10C321B9A19CA830A880 |
SSDEEP | 192:RnmCMoGUzKqkJXJS/T6Z9zxpq3wZ3mtRNwUOXbq9of9Ue2BHUyyDlgyRrJlQQHr8:tmn2KfXJSmZ5qKmtRNUPf90+Dlg+CQ4 |
TLSH | T1BEA2A767F78799FBCAA4CB38854B423D5370E446D21092237D1CE37EA8913485B4E797 |
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 |
---|---|
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 |
---|---|
FileName | ./usr/share/doc/avogadro/examples/methane.FChk.gz |
FileSize | 4616 |
MD5 | D214E44EC06F5A92C524A8C9F1BBBD4D |
RDS:package_id | 182052 |
SHA-1 | 06057AC2BC3F906077825AAEC2DC050FCE777080 |
SHA-256 | E31970AC1E16B2E0C45ABF758B65A2DB5C83EC9C28FB5FEE8344F4528E933970 |
SSDEEP | 96:0uK4Z9Eu/2eiJqWsQU3O2TqL6X7NSCfP+CV8uPN:u4Z9t2dpUBeL6JTP+Wl |
TLSH | T1A8916C90DA756830870B73806298774F6E83110EC16856F489F0642A7E35C7F76EB87F |
insert-timestamp | 1679427281.240543 |
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 | 8EDA85E7 |
FileName | ./usr/share/avogadro2/molecules/cyclic_sugars/alpha-L-galactopyranose.cml |
FileSize | 2975 |
MD5 | F37DE951D6BAE5EAFDE72285AC5B7AA2 |
OpSystemCode | 362 |
ProductCode | 181156 |
RDS:package_id | 182052 |
SHA-1 | 067559F3727214C01BB78891A471FFF57EC0039A |
SHA-256 | 00EE1D9459408475F19A97D1B6A15D65CB2A733A58B17014388ACE73348FD44C |
SSDEEP | 24:jgF3F3b7etit/3DPKqhC4xHduOqE0GT2uD0YkF9O5yS2e3cqOhAmZrEzQG/jstWA:c33eiTGfgcwauD7q7vJPvFum |
SpecialCode | |
TLSH | T18B51F981FB2C66A1C62D86B8FA461DC777A9D2CA5BD043952111FF75A73054C80EB0F8 |
db | nsrl_modern_rds |
insert-timestamp | 1679426575.3685582 |
source | RDS.db |