| Key | Value |
|---|---|
| FileSize | 42472 |
| MD5 | ABE052E510A30DC4585BCD40449F019B |
| PackageDescription | GROMACS molecular dynamics sim, NB-LIB development kit GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles. . The goal of NB-LIB is to enable researchers to programmatically define molecular simulations. Traditionally these have been performed using a collection of executables and a manual workflow followed by a “black-box” simulation engine. NB-LIB allows users to script a variety of novel simulation and analysis workflows at a more granular level. . This package contains header files for NB-LIB. For the classical GROMACS API, see libgromacs-dev. |
| PackageMaintainer | Debichem Team <debichem-devel@lists.alioth.debian.org> |
| PackageName | libnblib-dev |
| PackageSection | libdevel |
| PackageVersion | 2021.4-2 |
| SHA-1 | 2B851E4CE199A32699C71B5524B4AA762CD5AC4A |
| SHA-256 | BC715B8D9974F656B3DBCFCBD734C3332904A4654963F35F81845853E803DB4B |
| hashlookup:children-total | 22 |
| hashlookup:trust | 50 |
The searched file hash includes 22 children files known and seen by metalookup. A sample is included below:
| Key | Value |
|---|---|
| FileName | ./usr/include/nblib/simulationstate.h |
| FileSize | 3490 |
| MD5 | 038056FC3BCDDD37BB01BA5F2C83576D |
| SHA-1 | 002133CFE8FEF0C5F7BAA55F1DB21D57BD75313B |
| SHA-256 | F4C81D78F963B58E8FF5BE4BD5C29A0C868CE1A83644591060880C10680A0D51 |
| SSDEEP | 96:Cq721QMEboEqjzJCm//CWih8xAsEUt+Ei6Utbt6elbdX0:CO21QQPJvnCWih18UEitBseP0 |
| TLSH | T14671944A51346737480703A4674F26DA9519C1D7F25995C8309FC3182F4A8F84FFBED5 |
| Key | Value |
|---|---|
| FileName | ./usr/include/nblib/interactions.h |
| FileSize | 5329 |
| MD5 | 2BFC86F13EAAD8880EA4E3801893F850 |
| SHA-1 | 0D688DEC0352A80CA6DBD816A70D5DB91D1E6A95 |
| SHA-256 | ABFFE16E7CC59D6559C2DFF3EF039DB3D9463559E24BCBA3D94EE287FE45527A |
| SSDEEP | 96:Cq721QMEboEqjzJ/4/ni3eTx7zkUBMrZ00q/di+I0CaNCK9Y:CO21QQPJQ/iw1zkUqZ00q00VY |
| TLSH | T109B1750972DA9B73551B03D4AF9BA5D00734911AB3C888C074FE5E2DAF8B8B851B7F94 |
| Key | Value |
|---|---|
| FileName | ./usr/include/nblib/forcecalculator.h |
| FileSize | 4711 |
| MD5 | DFBB32319B37C0858C709822728E907F |
| SHA-1 | 0F76C29A6A58063D315E7ED078C051C96EEB3702 |
| SHA-256 | 847B1E6A12D087A81CD88E8449F2401EB0423684A63B5CF9A1013C6FF95C94AA |
| SSDEEP | 96:Cv721QMEboEqjzJQ/WAVLD5KkLenaW4kk0S7BNXsgi6C7z1:Cj21QQPJQuAbKQr27gXFwV |
| TLSH | T1D8A187A712E50333541B17F2E34E61EA9229D2AD7366658030EF822C7F149694BFBDD8 |
| Key | Value |
|---|---|
| FileName | ./usr/include/nblib/bondtypes.h |
| FileSize | 12341 |
| MD5 | A3AA22244D5B563CACF764747853E31E |
| SHA-1 | 2A84A86384FF04D480EF46D29D14AFFE2156692A |
| SHA-256 | B8FF5796D799501D092F2382CF57AC272AFB0B9B107F0C2A26A3600C37AA83BF |
| SSDEEP | 384:CO21tJOwxYgLkdhihlvTUT1p+ieSnQbfMsB2BdPHf4Fxb/x9xO:f21HOoYgLkdhihlvTUT14ieSyEwyBfm+ |
| TLSH | T12242768373E29B12B1CB01D0D5369352C229E19A767D3950703FC2687FAF451D7A3B9A |
| Key | Value |
|---|---|
| FileName | ./usr/include/nblib/definitions.h |
| FileSize | 5925 |
| MD5 | 524DEC17AF6573C5E52E5E2B6FFD79A5 |
| SHA-1 | 3083DB1C079B645FC847C4E7EEA477188D2B8C64 |
| SHA-256 | 95F3FC0E7224ECFF0EE8F98A29441507908300A7180E5F3A7953C2994C36B40C |
| SSDEEP | 96:Cq721QMEboEqjc/lbnrYqtOb+2hxuD60Dt3VlZ:CO21QQA9brTGurt39 |
| TLSH | T1A4C1211635AB3F31724B08A9715694D186359279639C24C0685FB36C9FDF0F486BFF90 |
| Key | Value |
|---|---|
| FileName | ./usr/share/doc/libnblib0/copyright |
| FileSize | 31985 |
| MD5 | 16F90358FB401F0FDD5255C7B1FAC3B6 |
| SHA-1 | 4BA03D904453D37400A5ADFD505446C2DB94BC9E |
| SHA-256 | 4814E82AF6579687925C0AA84469EEAF78433AF534CEF69B759CB17FEEB067FB |
| SSDEEP | 768:vZtlhRoba/tyvJDLAfiIqBd3j12lRDLwjFljAsGw2Vjlbqwb+Fo76D1:HB/svJAfi9n2lRoljAsGw2VBTW26D1 |
| TLSH | T108E2E76B334403B319E20791A65998C9F22F913E772B6A44787DD218233BB2DD7FB494 |
| Key | Value |
|---|---|
| FileName | ./usr/include/nblib/util/util.hpp |
| FileSize | 5910 |
| MD5 | A416EAF1B8F588B40E709ED3DDF31BBE |
| SHA-1 | 5AB6F656FC8026260038E86E85447666EBED43A0 |
| SHA-256 | 428DCB44DC98A467673C0BCE67FBD15C5F9396C89B3B388FFA0C7624D9021CA8 |
| SSDEEP | 96:Cv721QMEboEqjzJj/WHl/vfRK3g1ilsAQ6k6gXfRxP06ekYTQC:Cj21QQPJji16JRK46HYEC |
| TLSH | T169C1945630B57733891305B7A74F54CA93269462B358D4E0B0AFA3746F098A883B6FF8 |
| Key | Value |
|---|---|
| FileName | ./usr/include/nblib/particlesequencer.h |
| FileSize | 2928 |
| MD5 | 6F3705EDF2C07989E5582DF35F225791 |
| SHA-1 | 657F0CA2D7567CA3A8906EE7A7BEBDEA19C11AF9 |
| SHA-256 | 499078AC75F30F36046D5AED24F3BE2D141D8ECE1048177F474268DA7F391AEE |
| SSDEEP | 48:Cre0Eem2syxHDk6F6QNqbov8qjzJ9aw/ryD/w/eB0U6gFIWrKOkUi0:Cq721QMEboEqjzJH/2DwSFqWli0 |
| TLSH | T16651B85B52D8073259834BE4A78D6DC65229D2AEF2EC948070BF831C2F094A547B2ED1 |
| Key | Value |
|---|---|
| FileName | ./usr/include/nblib/vector.h |
| FileSize | 2202 |
| MD5 | 1FE5DAEE6755FF84DB2CF0392BF911F3 |
| SHA-1 | 8781C6873EF2176631B7EA10A2D9FC57606B4B09 |
| SHA-256 | 550E4176C5963DEA873C4415A277389551B7FD5E15254D168283F2F7F8E57013 |
| SSDEEP | 48:Cre0Eem2syxHDk6F6QNqbov8qjzJU6ta/2B:Cq721QMEboEqjzJUH/2B |
| TLSH | T16941765F16540377588706E4728E69EA9317C6EEB17590C014AF831C3D0D5EA0BE7ED5 |
| Key | Value |
|---|---|
| FileName | ./usr/share/doc/libnblib0/changelog.Debian.gz |
| FileSize | 18472 |
| MD5 | D97587A094BE4A65C58187630F27EDCD |
| SHA-1 | 8A906B86D32CADEDF04A7A7447FBBBE136E2246A |
| SHA-256 | 601372BFBA60F16ACAA7775BD4E8019D83479DB5E0427C1B2925E1E1B1DFA67A |
| SSDEEP | 384:+scgNVYDQpTAZyPF5/B59WqD7SZg+m3ev+L+Cnd9Po:+ZMYDQp8MPFl5WaGZg+m3GxCk |
| TLSH | T1B682E185160EB4246DDC34368C9F264334FAB1AE7D5472C23AE456FCD50F2C45AE36AE |