Data Item _pdbx_nmr_software.name
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General 
- Item name
- _pdbx_nmr_software.name
- Category name
- pdbx_nmr_software
- Attribute name
- name
- Required in PDB entries
- yes
- Used in current PDB entries
- Yes, in about 6.4 % of entries
Item Description
The name of the software used for the task.
Additional Descriptive Information for Depositors
The name of the software used for this procedure.
Item Example1
ANSIG
Item Example2
AURELIA
Item Example3
AZARA
Item Example4
CHARMM
Item Example5
CoMAND
Item Example6
CORMA
Item Example7
DIANA
Item Example8
DYANA
Item Example9
DSPACE
Item Example10
DISGEO
Item Example11
DGII
Item Example12
DISMAN
Item Example13
DINOSAUR
Item Example14
DISCOVER
Item Example15
FELIX
Item Example16
FT_NMR
Item Example17
GROMOS
Item Example18
IRMA
Item Example19
MARDIGRAS
Item Example20
NMRPipe
Item Example21
SA
Item Example22
UXNMR
Item Example23
VNMR
Item Example24
X-PLOR
Item Example25
XWINNMR
Data Type 
- Data type code
- line
- Data type detail
- char item types / multi-word items ...
- Primitive data type code
- char
- Regular expression
- [][ \t_(),.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]*
Controlled Vocabulary at Deposition
| Allowed Value | Details |
|---|---|
| 3D-DART | |
| 3DNA | |
| 4D-CHAINS | |
| 4DSPOT | |
| ABACUS | |
| ACME | |
| ADAPT-NMR | |
| AGNuS | |
| ALMOST | |
| AMIX | |
| ANATOLIA | |
| ANSIG | |
| APES | |
| AQUA | |
| ARIA | |
| ARIA2alpha | |
| ARMOR | |
| ARTINA | |
| ASCAN | |
| ASDP | |
| ATNOS | |
| ATSAS | |
| AUDANA | |
| AURELIA | |
| AUREMOL | |
| AVS | |
| Amber | |
| AmberTools | |
| AnalysisAssign | |
| Anglesearch | |
| ArShift | |
| AutoAssign | |
| AutoDock | |
| AutoProc | |
| AutoStructure | |
| Azara | |
| BACKTOR | |
| BACUS | |
| BATCH | |
| BATMAN | |
| BIOGRAF | |
| BIRDER | |
| Burrow-owl | |
| CALIBA | |
| CAMERA | |
| CANDID | |
| CAPP | |
| CARA | |
| CATCH23 | |
| CATIA | |
| CCNMR | |
| CHA3Shift | |
| CHARMM | |
| CHARMM-GUI | |
| CHEMEX | |
| CHESHIRE | |
| CHIFIT | |
| CINDY | |
| CING | |
| CLUSTAL W/X | |
| CMXW | |
| CNS | |
| CNSSOLVE | |
| CNX | |
| COMPASS | |
| CONCOORD | |
| CONGEN | |
| CORMA | |
| CPMD | |
| CS-RDC-NOE Rosetta | |
| CS-ROSETTA | |
| CS23D | |
| CSCDP | |
| CSI | |
| CYANA | |
| CYRANGE | |
| CamShift | |
| CamShift-MD | |
| CambridgeCS | |
| CcpNmr Analysis | |
| CcpNmr Analysis Assign | |
| CcpNmr Analysis Metabolomics | |
| CcpNmr Analysis Screen | |
| CcpNmr ChemBuild | |
| Chimera | |
| Circos | |
| Cluster 3.0 | |
| CoMAND | |
| Complete SCS search | |
| Curves | |
| Curves+ | |
| DADAS | |
| DANGLE | |
| DGEOM | |
| DIAMOD | |
| DIANA | |
| DINOSAUR | |
| DISGEO | |
| DISMAN | |
| DISNMR | |
| DNAminiCarlo | |
| DSPACE | |
| DSSP | |
| DUPLEX | |
| DYANA | |
| DYNAMO | |
| Delta | |
| DipoCoup | |
| Discover | |
| Discovery Studio | |
| Dreamwalker | |
| Dynamic Meccano | |
| EC-NMR | |
| ELM | |
| EMBOSS | |
| ENSEMBLE | |
| EREF | |
| EZ-ASSIGN | |
| FANMEM | |
| FANTOM | |
| FAWN | |
| FINDFAM | |
| FIRM | |
| FISI | |
| FMCGUI | |
| Felix | |
| FindCore | |
| Flexible-meccano | |
| Foldit | |
| FuDA | |
| G2G | |
| GAPRO | |
| GARANT | |
| GASyCS | |
| GENXPK | |
| GLOMSA | |
| GLXCC | |
| GRAMM-X | |
| GROMACS | |
| GROMOS | |
| GUARDD | |
| Gaussian | |
| GeNMR | |
| Gifa | |
| HABAS | |
| HADDOCK | |
| HBPLUS | |
| HOLE | |
| HYPER | |
| HyperChem | |
| I-PINE | |
| ICMD | |
| INCA | |
| INDYANA | |
| INFIT | |
| IRMA | |
| In-house / custom | |
| Inferential Structure Determination (ISD) | |
| Insight | |
| Insight II | |
| JUMNA | |
| KUJIRA | |
| MAGRO | |
| MAPPER | |
| MARBLE | |
| MARDIGRAS | |
| MARS | |
| MATCH | |
| MC-Sym | |
| MCASSIGN | |
| MCCL | |
| MDDGUI | |
| MEDUSA | |
| MFT | |
| MIDGE | |
| MNMR | |
| MODELLER | |
| MOE | |
| MOLMOL | |
| MORASS | |
| MORCAD | |
| MULDER | |
| MUNIN | |
| MacroModel | |
| MagRO-NMRView | |
| Mathematica | |
| Matlab | |
| MddNMR | |
| MestreLab (Mnova / MestReNova / MestReC) | |
| Minuit | |
| ModelFree | |
| Module | |
| Module 2 | |
| MolProbity | |
| MolSkop | |
| Monte | |
| NAB | |
| NAMD | |
| NAME | |
| NAMFIS | |
| NDEE | |
| NESSY | |
| NHFIT | |
| NMR Structure Tools | |
| NMR-SPIRIT | |
| NMRCLUST | |
| NMRCompass | |
| NMRDraw | |
| NMRFAM-SPARKY | |
| NMRFx | |
| NMRLAB | |
| NMRPipe | |
| NMRSwarm | |
| NMRView | |
| NMRViewJ | |
| NMRe | |
| NMRest | |
| NMRspy | |
| NOAH | |
| NOEID | |
| NOEMOL | |
| NOTE | |
| NUCFIT | |
| NUCHEMICS | |
| NUCLSQ | |
| Numbat | |
| O | |
| OPAL | |
| OPALp | |
| OTOKO | |
| Olivia | |
| Omega | |
| Orderten_SVD | |
| PACES | |
| PALES | |
| PANAV | |
| PARADYANA | |
| PASA | |
| PASTA | |
| PASTE/PAPST | |
| PECAN | |
| PELE web server | |
| PEPFLEX-II | |
| PINE | |
| PINE Server | |
| PINE-SPARKY | |
| PINT | |
| PIPATH | |
| PIPP | |
| PISTACHIO | |
| PLATON | |
| PLUMED | |
| PLUMED2 | |
| PONDEROSA | |
| PONDEROSA-C/S | |
| POSE | |
| PREDITOR | |
| PRESTO | |
| PROCHECK / PROCHECK-NMR | |
| PRODRG | |
| PROMOTIF | |
| PROSA | |
| PSEUDODYANA | |
| PSEUDOREM | |
| PSVS | |
| PdbStat | |
| Poky | |
| Prime | |
| ProFit | |
| Pronto | |
| Pronto3D | |
| Protein Constructor | |
| PyMOL | |
| PyRPF | |
| QM/MM | |
| QUANTA | |
| QUEEN | |
| RADAR | |
| RANDMARDI | |
| RASP | |
| RDC-PANDA | |
| RECOORD | |
| REDCAT | |
| REDcRAFT | |
| REGINE | |
| RELAZ | |
| REPENT | |
| RESTRICT | |
| RUNMR | |
| RasMol | |
| RelaxFit | |
| Rosetta | |
| Rowland NMR Toolkit (RNMRTK) | |
| S3EPY | |
| SANE | |
| SCRUB | |
| SCULPTOR | |
| SCWRL | |
| SHIFTCALC | |
| SHIFTX | |
| SIMPSON | |
| SNARF | |
| SOLARIA | |
| SOPHIE | |
| SPARTA | |
| SPARTA+ | |
| SPEDREF | |
| SPHINX/LINSHA | |
| SPINS | |
| SPIRIT | |
| SPSCAN | |
| STAPP | |
| SUPPOSE | |
| SYBYL | |
| SYBYL-X | |
| Shine | |
| SideR | |
| Signal Separation Algorithm (SSA) | |
| Smol | |
| Sparky | |
| SpinEvolution | |
| SpinSight | |
| SpinWorks | |
| Structural Fitting | |
| Swiss-PdbViewer | |
| TALOS | |
| TALOS+ | |
| TALOS-N | |
| TENSOR | |
| TENSOR2 | |
| TORC | |
| TRIPOS | |
| Tinker | |
| TopSpin | |
| Turbo-Frodo | |
| UBNMR | |
| UCSF Chimera | |
| UCSF MidasPlus | |
| UNIO | |
| UXNMR | |
| VADAR | |
| VEMBED | |
| VERIFY3D | |
| VMD | |
| VNMR | |
| VnmrJ | |
| WHAT IF | |
| X-PLOR | |
| X-PLOR NIH | |
| XEASY | |
| XSSP | |
| XVNMR | |
| Xipp | |
| Xndee | |
| XwinNMR | |
| YARIA | |
| YARM | |
| YASAP | |
| YASARA | |
| calRW | |
| calRW+ | |
| cleaner3D | |
| curvefit | |
| hmsIST | |
| interhlx | |
| miniCarlo | |
| nmr2st | |
| nmrglue | |
| pfit | |
| qMDD | |
| rDOCK | |
| relax | |
| smartnotebook | |
| tecmag | |
| xcrvfit | |
| xyza2pipe |
Aliases
| Alias Item Name | Dictionary Name | Dictionary Version |
|---|---|---|
| _rcsb_nmr_software.name | cif_rcsb.dic | 1.1 |