NMR-STAR dictionary: Saveframes

Saveframe category : angular_order_parameters

Name: Angular order parameters
Belongs to superGroup 8 : structure
Mandatory Number:
Is Replicable?: yes

Saveframe Description: help text
Contains tag categories:

Saveframe category : assembly

Name: Molecular assembly
Belongs to superGroup 3 : assembly_supercategory
Mandatory Number: 1
Is Replicable?: no

Saveframe Description: The molecular assembly is the set of all molecules that make up the system studied. Simple examples include a single polypeptide chain, a homodimer consisting of two components, a duplex DNA system that has two components, or protein ligand complex that has two components. A more detailed description for molecular assembly is found here .
Contains tag categories:

Saveframe category : assembly_annotation

Name: Molecular assembly annotation
Belongs to superGroup 3 : assembly_supercategory
Mandatory Number:
Is Replicable?: no

Saveframe Description: Authors may use this section to provide unique annotation for the molecular assembly studied.
Contains tag categories:

Saveframe category : assembly_subsystems

Name: Molecular assembly subsystem descriptions
Belongs to superGroup 3 : assembly_supercategory
Mandatory Number:
Is Replicable?: yes

Saveframe Description: Subsystems of the complete molecular assembly may be defined using this section.
Contains tag categories:

Saveframe category : assigned_chemical_shifts

Name: Assigned chemical shifts
Belongs to superGroup 5 : NMR_parameters
Mandatory Number:
Is Replicable?: yes

Saveframe Description: Please supply the file name, samples, conditions, and NMR experiments used to collect the data in the uploaded assigned chemical shift data file.
Contains tag categories:

Saveframe category : auto_relaxation

Name: Auto relaxation data
Belongs to superGroup 6 : kinetics
Mandatory Number:
Is Replicable?: yes

Saveframe Description: Create a form for each set of relaxation data that is being deposited. For each set, provide the name of the deposited file containing the data set, links to the samples used, sample conditions, and specific details about the parameters used to collect the data.
Contains tag categories:

Saveframe category : binding_data

Name: binding_data
Belongs to superGroup 7 : thermodynamics
Mandatory Number:
Is Replicable?: yes

Saveframe Description: Please supply a label for each set of binding constant values reported, the name of the file containing the data, and links to the sample(s) and sample conditions used to collect the data.
Contains tag categories:

Saveframe category : binding_param_list

Name: binding_data
Belongs to superGroup 7 : thermodynamics
Mandatory Number:
Is Replicable?: yes

Saveframe Description: Enter a label for each set of binding titration data deposited, the name of the uploaded file containing the data, and a link to the reported binding constant values calculated from the data.
Contains tag categories:

Saveframe category : bond_annotation

Name: Bond annotations
Belongs to superGroup 8 : structure
Mandatory Number:
Is Replicable?: yes

Saveframe Description: Describe any chemical bonds that are of special inportance to the reported structure.
Contains tag categories:

Saveframe category : CA_CB_chem_shift_constraints

Name: CA/CB chemical shift constraints
Belongs to superGroup 8 : structure
Mandatory Number:
Is Replicable?: yes

Saveframe Description: help text
Contains tag categories:

Saveframe category : chem_comp

Name: Ligands, cofactors, etc.
Belongs to superGroup 3 : assembly_supercategory
Mandatory Number:
Is Replicable?: yes

Saveframe Description: Enter a description for each chemically unique ligand molecule or non-standard biopolymer residue (chemical component) in the molecular system. If the chemical component exists in the PDB Ligand Depot, simply enter the PDB chemical component ID for the compound in the appropriate field and click on the 'Save Changes' button. More help can be found here .
Contains tag categories:

Saveframe category : chemical_rates

Name: General chemical rate data
Belongs to superGroup 6 : kinetics
Mandatory Number:
Is Replicable?: yes

Saveframe Description: Please enter the name of the uploaded file containng the rate values and links to the samples and sample conditions used to collect the data.
Contains tag categories:

Saveframe category : chem_shift_anisotropy

Name: Chemical shift anisotropy
Belongs to superGroup 5 : NMR_parameters
Mandatory Number:
Is Replicable?: yes

Saveframe Description: Please enter the name of the uploaded file containing the chemical shift anisotropy data and the samples and sample conditions used to collect the data.
Contains tag categories:

Saveframe category : chem_shift_interaction_diff

Name: Molecular interaction data
Belongs to superGroup 5 : NMR_parameters
Mandatory Number:
Is Replicable?: yes

Saveframe Description: The results of molecular interaction studies that involve the effects on the chemical shifts of atoms in one or both of the interacting molecules are described in this section.
Contains tag categories:

Saveframe category : chem_shift_isotope_effect

Name: Chemical shift isotope effects
Belongs to superGroup 5 : NMR_parameters
Mandatory Number:
Is Replicable?: yes

Saveframe Description: The details describing experiments measuring the effects of isotopic nuclear substitutions on the chemical shfits of neighboring nuclei are entered in this section.
Contains tag categories:

Saveframe category : chem_shift_reference

Name: Chemical shift references
Belongs to superGroup 5 : NMR_parameters
Mandatory Number:
Is Replicable?: yes

Saveframe Description: Accurate chemical shift referencing is critical. Indicate below the nuclei reported (1H, 13C, 15N, etc.) and If the IUPAC recommend chemical shift referencing method was used and then save the page. If other referencing compounds or methods were used, enter the information in the table provided.
Contains tag categories:

Saveframe category : chem_shifts_calc_type

Name: Chemical shift calculation type
Belongs to superGroup 5 : NMR_parameters
Mandatory Number:
Is Replicable?: yes

Saveframe Description: Please supply the details requested regarding the type of calculation method used to determine the theoretical chemical shifts.
Contains tag categories:

Saveframe category : chromatographic_column

Name: Chromatographic column
Belongs to superGroup 4 : experimental_details
Mandatory Number:
Is Replicable?: yes

Saveframe Description: ?
Contains tag categories:

Saveframe category : chromatographic_system

Name: Chromatographic system
Belongs to superGroup 4 : experimental_details
Mandatory Number:
Is Replicable?: yes

Saveframe Description: Enter a description of the chromatographic system(s) used.
Contains tag categories:

Saveframe category : citations

Name: Citations
Belongs to superGroup 2 : citations
Mandatory Number: 1
Is Replicable?: yes

Saveframe Description: The title, authors, and reference information for a citation are entered in this section.
Contains tag categories:

Saveframe category : computer

Name: Computer hardware description
Belongs to superGroup 4 : experimental_details
Mandatory Number:
Is Replicable?: yes

Saveframe Description: Enter details regarding the computer hardware used to collect, process, and analyze the data reported.
Contains tag categories:

Saveframe category : conformer_family_coord_set

Name: Conformer refinement methods
Belongs to superGroup 8 : structure
Mandatory Number:
Is Replicable?: no

Saveframe Description: Information regarding the conditions used, NMR experiments carried out, and methods used to calculate and refine the reported ensemble of conformations are entered here. If an ensemble of conformers is not reported, please complete the sections on the NMR experiments and sample conditions used. The software and refinement methods sections can be completed by entering 'na' in the fields.
Contains tag categories:

Saveframe category : conformer_statistics

Name: Conformer statistics
Belongs to superGroup 8 : structure
Mandatory Number:
Is Replicable?: no

Saveframe Description: The selection criteria, energy values, statistical parameters, and other data that describe the calculated ensemble of conformers and representative structure are entered in this section.
Contains tag categories:

Saveframe category : constraint_statistics

Name: Constraint statistics
Belongs to superGroup 8 : structure
Mandatory Number:
Is Replicable?: no

Saveframe Description: First enter the number and type of constraints present in each constraint file uploaded for this deposition. After clicking 'save changes', new text boxes will appear near the top of the page. Please enter the requested constraint statistical details.
Contains tag categories:

Saveframe category : coupling_constants

Name: Coupling constants
Belongs to superGroup 5 : NMR_parameters
Mandatory Number:
Is Replicable?: yes

Saveframe Description: For each set of scalar coupling constants deposited, provide the experimental details (the uploaded file name, samples, conditions, and NMR experiments, etc.).
Contains tag categories:

Saveframe category : deduced_hydrogen_bonds

Name: Deduced hydrogen bonds
Belongs to superGroup 8 : structure
Mandatory Number:
Is Replicable?: yes

Saveframe Description: help text
Contains tag categories:

Saveframe category : deduced_secd_struct_features

Name: Secondary structure features
Belongs to superGroup 8 : structure
Mandatory Number:
Is Replicable?: yes

Saveframe Description: help text
Contains tag categories:

Saveframe category : deposited_data_files

Name: Deposit data files
Belongs to superGroup 1 : entry_information
Mandatory Number: 1
Is Replicable?: no

Saveframe Description: To upload data files from your system to BMRB, in the fields provided, select a data file from your local directory system, and define the kind of data in the file. If the file contains more than one kind of data, please indicate in the entry interview each kind of data that you are depositing.
Contains tag categories:

Saveframe category : D_H_fractionation_factors

Name: D/H fractionation factors
Belongs to superGroup 7 : thermodynamics
Mandatory Number:
Is Replicable?: yes

Saveframe Description: Please enter the information required to link the deposited set of deuterium/hydrogen fractionation factors with the file name, sample conditions, and samples used for the data.
Contains tag categories:

Saveframe category : dipolar_couplings

Name: Dipolar couplings
Belongs to superGroup 5 : NMR_parameters
Mandatory Number:
Is Replicable?: yes

Saveframe Description: Please enter the information requested below regarding the experimental details for the deposited dipolar coupling data.
Contains tag categories:

Saveframe category : dipole_CSA_cross_correlations

Name: Dipole-CSA cross correlation relaxation
Belongs to superGroup 6 : kinetics
Mandatory Number:
Is Replicable?: yes

Saveframe Description: Create a form for each set of dipole-CSA cross correlation data and provide the links to the samples used, sampleconditions, and other experimental parameters used to collect the data.
Contains tag categories:

Saveframe category : dipole_dipole_cross_correlations

Name: Dipole-Dipole cross correlation relaxation
Belongs to superGroup 6 : kinetics
Mandatory Number:
Is Replicable?: yes

Saveframe Description: For each set of dipole-dipole cross correlation relaxation data, create a new form and supply the labels for the samples used, sample conditions, and other experimental details.
Contains tag categories:

Saveframe category : dipole_dipole_relaxation

Name: Dipole-Dipole relaxation data
Belongs to superGroup 6 : kinetics
Mandatory Number:
Is Replicable?: yes

Saveframe Description: For each set of dipole-dipole relaxation data, create a new form and supply the labels for the samples used, sample conditions, and other experimental details.
Contains tag categories:

Saveframe category : distance_constraints

Name: Distance constraints
Belongs to superGroup 8 : structure
Mandatory Number:
Is Replicable?: yes

Saveframe Description: help text
Contains tag categories:

Saveframe category : entity

Name: Molecular entity
Belongs to superGroup 3 : assembly_supercategory
Mandatory Number: 1
Is Replicable?: yes

Saveframe Description: A molecular entity is a chemically unique molecule (polymer or nonpolymer) in the system studied. For a homodimer, a description of one monomer is required. For a heterodimer (non palindromic DNA, protein-protein complex, DNA-RNA complex) or a biopolymer ligand complex, both molecules need to be described by completing two molecular entity forms. For more complex molecular systems, additional molecular entity forms may need to be filled out. Nonpolymers (ligands, metal ions, etc.) are described briefly here and more completely in the section for ligands. More help can be found here .
Contains tag categories:

Saveframe category : entry_information

Name: Entry information
Belongs to superGroup 1 : entry_information
Mandatory Number: 1
Is Replicable?: no

Saveframe Description: Provide information that describes the entry and the people responsible for the deposition. For the contact people, please enter the e-mail address first. If the person is a prior depositor at the BMRB, many of the additional fields for the contact person may be filled in automatically.
Contains tag categories:

Saveframe category : entry_interview

Name: Entry interview
Belongs to superGroup 1 : entry_information
Mandatory Number: 1
Is Replicable?: no

Saveframe Description: Select the type of deposition you would like to start (BMRB only or PDB/BMRB). The information entered as you complete the deposition will apply to both a BMRB only and a PDB/BMRB deposition. At any time, you can switch between a BMRB only and a PDB/BMRB deposition using the 'View mode' buttons in the upper left hand corner of the interface. Additional information describing the deposition process can be obtained by clicking on the 'Help' button at the top of the page.
Contains tag categories:

Saveframe category : experimental_source

Name: Experimental source
Belongs to superGroup 3 : assembly_supercategory
Mandatory Number: 1
Is Replicable?: no

Saveframe Description: Enter the source used to produce the biopolymers studied in this entry. In most cases, this would be the host organism and plasmid used to overproduce a protein. If the biopolymer was chemically synthesized or purchased from a vendor, please make the appropriate selection in the production method field and then click on 'Save changes'. This will modify the number and types of data fields that appear in the interface.
Contains tag categories:

Saveframe category : experiment_list

Name: NMR experiments and samples
Belongs to superGroup 4 : experimental_details
Mandatory Number:
Is Replicable?: no

Saveframe Description: Please provide a list of the NMR experiments carried out and indicate the sample and sample conditions used for each experiment. If the same NMR experiment was carried out with two or more different samples or two or more different sample conditions, enter a new row in the table below for each combination of NMR experiment, sample, and sample condition used.
Contains tag categories:

Saveframe category : floating_chiral_stereo_assign

Name: Floating chirality stereoassignments
Belongs to superGroup 8 : structure
Mandatory Number:
Is Replicable?: yes

Saveframe Description: help text
Contains tag categories:

Saveframe category : force_constants

Name: Force constants
Belongs to superGroup 8 : structure
Mandatory Number:
Is Replicable?: yes

Saveframe Description: help text
Contains tag categories:

Saveframe category : general_distance_constraints

Name: General distance constraints
Belongs to superGroup 8 : structure
Mandatory Number:
Is Replicable?: yes

Saveframe Description: help text
Contains tag categories:

Saveframe category : H_chem_shift_constraints

Name: Proton chemical shift constraints
Belongs to superGroup 8 : structure
Mandatory Number:
Is Replicable?: yes

Saveframe Description: help text
Contains tag categories:

Saveframe category : heteronucl_NOEs

Name: Heteronuclear NOEs
Belongs to superGroup 6 : kinetics
Mandatory Number:
Is Replicable?: yes

Saveframe Description: Please provide a label for each set of deposited heteronuclear NOE data, the name of the file containing the data, links to the samples and sample conditions used, and other experimental details.
Contains tag categories:

Saveframe category : heteronucl_T1_relaxation

Name: Heteronuclear T1 data
Belongs to superGroup 6 : kinetics
Mandatory Number:
Is Replicable?: yes

Saveframe Description: Please enter a label for each set of heteronuclear T1 relaxation data deposited, the name of the file containing the data, the names of the sections for the sample descriptions and sample conditions, and information describing the T1 values.
Contains tag categories:

Saveframe category : heteronucl_T1rho_relaxation

Name: Heteronuclear T1rho data
Belongs to superGroup 6 : kinetics
Mandatory Number:
Is Replicable?: yes

Saveframe Description: Create a form for each set of T1rho data that is being deposited. For each set, provide the name of the deposited file containing the data set, links to the samples used, sample conditions, and specific details about the parameters used to collect the data.
Contains tag categories:

Saveframe category : heteronucl_T2_relaxation

Name: Heteronuclear T2 data
Belongs to superGroup 6 : kinetics
Mandatory Number:
Is Replicable?: yes

Saveframe Description: Create a form for each set of T2 data that is being deposited. For each set, provide the name of the deposited file containing the data set, links to the samples used, sample conditions, and specific details about the parameters used to collect the data.
Contains tag categories:

Saveframe category : H_exch_protection_factors

Name: H-exchange protection factors
Belongs to superGroup 6 : kinetics
Mandatory Number:
Is Replicable?: yes

Saveframe Description: Please provide the name of the uploaded file containing the hydrogen exchange protection factors and links to the samples and sample conditions used to collect the data.
Contains tag categories:

Saveframe category : H_exch_rates

Name: H-exchange rates
Belongs to superGroup 6 : kinetics
Mandatory Number:
Is Replicable?: yes

Saveframe Description: Please enter the name of the uploaded file containng the hydrogen exchange rate values and links to the samples and sample conditions used to collect the data.
Contains tag categories:

Saveframe category : homonucl_NOEs

Name: Homonuclear NOEs
Belongs to superGroup 6 : kinetics
Mandatory Number:
Is Replicable?: yes

Saveframe Description: Do not use this section to enter information about NOE restraint data used to calculate three-dimensional structures. For other NOE data, please enter the information requested including links to samples, sample conditions, other experimental details relevant to the reported homonuclear NOE data..
Contains tag categories:

Saveframe category : interatomic_distance

Name: Interatomic distances
Belongs to superGroup 8 : structure
Mandatory Number:
Is Replicable?: yes

Saveframe Description: help text
Contains tag categories:

Saveframe category : J_three_bond_constraints

Name: J three bond constraints
Belongs to superGroup 8 : structure
Mandatory Number:
Is Replicable?: yes

Saveframe Description: help text
Contains tag categories:

Saveframe category : Mass_spec_ref_compd

Name: Mass spectral reference compounds
Belongs to superGroup 4 : experimental_details
Mandatory Number:
Is Replicable?: yes

Saveframe Description: List information describing the chemical compounds used as references in carrying out the mass analysis.
Contains tag categories:

Saveframe category : Mass_spectrometer

Name: Mass spectrometer
Belongs to superGroup 4 : experimental_details
Mandatory Number:
Is Replicable?: yes

Saveframe Description: Enter details describing the mass spectrometers used.
Contains tag categories:

Saveframe category : Mass_spectrometer_list

Name: Mass spectrometer list
Belongs to superGroup 4 : experimental_details
Mandatory Number:
Is Replicable?: no

Saveframe Description: Provide a list of the Mass spectrometers used.
Contains tag categories:

Saveframe category : method

Name: Methods
Belongs to superGroup 4 : experimental_details
Mandatory Number:
Is Replicable?: yes

Saveframe Description: Please enter details about the methods used at any stage in the generation of the data provided in this entry. The reported methods can be linked to many sections of the depositon including sample preparation, NMR experiments and data processing, and data analysis.
Contains tag categories:

Saveframe category : molecule_purity

Name: Sample content purity
Belongs to superGroup 4 : experimental_details
Mandatory Number:
Is Replicable?: yes

Saveframe Description: Enter the measured purity of each unique biopolymer in the samples used and define the method used to measure purity.
Contains tag categories:

Saveframe category : natural_source

Name: Natural source
Belongs to superGroup 3 : assembly_supercategory
Mandatory Number: 1
Is Replicable?: no

Saveframe Description: Provide the natural source for all biopolymers in the molecular assembly that was studied. The natural source for organic and inorganic ligands is not required.
Contains tag categories:

Saveframe category : NMR_spectral_processing

Name: NMR spectral processing protocols
Belongs to superGroup 4 : experimental_details
Mandatory Number:
Is Replicable?: yes

Saveframe Description: Enter specific details about the protocols used to process the raw NMR spectral data sets.
Contains tag categories:

Saveframe category : NMR_spectrometer

Name: NMR spectrometer
Belongs to superGroup 4 : experimental_details
Mandatory Number:
Is Replicable?: yes

Saveframe Description: Provide details describing the NMR spectrometer(s) used.
Contains tag categories:

Saveframe category : NMR_spectrometer_expt

Name: NMR experiment details
Belongs to superGroup 4 : experimental_details
Mandatory Number:
Is Replicable?: yes

Saveframe Description: Enter specific details regarding each NMR experiment here.
Contains tag categories:

Saveframe category : NMR_spectrometer_list

Name: NMR spectrometer list
Belongs to superGroup 4 : experimental_details
Mandatory Number:
Is Replicable?: no

Saveframe Description: Provide a list of the NMR spectrometers used.
Contains tag categories:

Saveframe category : NMR_spectrometer_probe

Name: NMR probe descriptions
Belongs to superGroup 4 : experimental_details
Mandatory Number:
Is Replicable?: yes

Saveframe Description: NMR spectrometer probes are listed and described in this section.
Contains tag categories:

Saveframe category : order_parameters

Name: Order parameters
Belongs to superGroup 7 : thermodynamics
Mandatory Number:
Is Replicable?: yes

Saveframe Description: Please enter a label for each set of order parameter data and the name of the deposited file that contains the data. Also provide links to the sample(s) and sample conditions used to collect the data.
Contains tag categories:

Saveframe category : org_constr_file_comment

Name: Original constraint file general comments
Belongs to superGroup 8 : structure
Mandatory Number:
Is Replicable?: yes

Saveframe Description: General text comments extracted from constraint files. These comments could not be assigned to a specific constraint.
Contains tag categories:

Saveframe category : other_constraints

Name: Other constraints
Belongs to superGroup 8 : structure
Mandatory Number:
Is Replicable?: yes

Saveframe Description: help text
Contains tag categories:

Saveframe category : other_data_types

Name: Other types of Data
Belongs to superGroup 5 : NMR_parameters
Mandatory Number:
Is Replicable?: yes

Saveframe Description: If data are being deposited that do not fit any of the categories listed in the entry interview, details about the data, a brief description of the kind of information collected, the samples and NMR experiments used are entered in this section.
Contains tag categories:

Saveframe category : other_struct_features

Name: Other secondary structure features
Belongs to superGroup 8 : structure
Mandatory Number:
Is Replicable?: yes

Saveframe Description: help text
Contains tag categories:

Saveframe category : pH_param_list

Name: pKa parameter data sets
Belongs to superGroup 7 : thermodynamics
Mandatory Number:
Is Replicable?: yes

Saveframe Description: Enter a label for each set of pH titration data deposited, the name of the uploaded file containing the data, and a link to the reported pKa or pHmid values calculated from the data.
Contains tag categories:

Saveframe category : pH_titration

Name: pKa values
Belongs to superGroup 7 : thermodynamics
Mandatory Number:
Is Replicable?: yes

Saveframe Description: Please supply a label for each set of pKa or pHmid values reported, the name of the file containing the data, and links to the sample(s) and sample conditions used to collect the data.
Contains tag categories:

Saveframe category : RDC_constraints

Name: Residual dipolar coupling constraints
Belongs to superGroup 8 : structure
Mandatory Number:
Is Replicable?: yes

Saveframe Description: help text
Contains tag categories:

Saveframe category : RDCs

Name: Residual dipolar couplings
Belongs to superGroup 5 : NMR_parameters
Mandatory Number:
Is Replicable?: yes

Saveframe Description: Details regarding the experiments used to collect residual dipolar coupling data are reported below. This includes the spectrometer frequency, and the isotropic and anisotropic sample and sample conditions.
Contains tag categories:

Saveframe category : representative_conformer

Name: Representative conformer refinement
Belongs to superGroup 8 : structure
Mandatory Number:
Is Replicable?: no

Saveframe Description: The methods used to calculate and refine the reported representative structural conformer are provided in this section.
Contains tag categories:

Saveframe category : resonance_linker

Name: Data derivation
Belongs to superGroup 5 : NMR_parameters
Mandatory Number:
Is Replicable?: yes

Saveframe Description: help text
Contains tag categories:

Saveframe category : sample

Name: Sample
Belongs to superGroup 4 : experimental_details
Mandatory Number:
Is Replicable?: yes

Saveframe Description: Enter the complete contents for each sample used in the study. This includes the molecules in the study (biopolymers and ligands), buffers, salts, and additives such as DTT, etc.
Contains tag categories:

Saveframe category : sample_conditions

Name: Sample conditions
Belongs to superGroup 4 : experimental_details
Mandatory Number:
Is Replicable?: yes

Saveframe Description: Provide at least the pH and temperature for each set of conditions used to collect the data listed in the entry.
Contains tag categories:

Saveframe category : secondary_structs

Name: Secondary structure features
Belongs to superGroup 8 : structure
Mandatory Number:
Is Replicable?: yes

Saveframe Description: help text
Contains tag categories:

Saveframe category : software

Name: Software descriptions
Belongs to superGroup 4 : experimental_details
Mandatory Number:
Is Replicable?: yes

Saveframe Description: Provide information for each software application used (name, version, vendor, etc.).
Contains tag categories:

Saveframe category : spectral_density_values

Name: Spectral density values
Belongs to superGroup 5 : NMR_parameters
Mandatory Number:
Is Replicable?: yes

Saveframe Description: Enter a label for each set of reported spectral density values, the name of the file containing the data, links to the sample(s) and sample conditions used to collect the data, and other experimental details.
Contains tag categories:

Saveframe category : spectral_peak_list

Name: Spectral peak lists
Belongs to superGroup 5 : NMR_parameters
Mandatory Number:
Is Replicable?: yes

Saveframe Description: Information linking the uploaded peak list files to the source NMR experiment and other details is entered in this form.
Contains tag categories:

Saveframe category : structure_interactions

Name: Structural interactions
Belongs to superGroup 8 : structure
Mandatory Number:
Is Replicable?: yes

Saveframe Description: Describe any hydrophobic, salt bridge, or other molecular interactions of special note that were observed in the structure(s).
Contains tag categories:

Saveframe category : study_list

Name: Studies
Belongs to superGroup 1 : entry_information
Mandatory Number:
Is Replicable?: no

Saveframe Description: A study is made up of one or more entries. You may define a name and type of study conducted and provide the entry(s) that compose the study. If a study is not defined, it will be assumed that the entry is the only member of a study and information provided for the entry will be used to poplulate corresponding tags in the study section to produce the final entry.
Contains tag categories:

Saveframe category : tensor

Name: General tensors
Belongs to superGroup 8 : structure
Mandatory Number:
Is Replicable?: yes

Saveframe Description: Please enter the name of the file that contains the tensor information.
Contains tag categories:

Saveframe category : tertiary_struct_elements

Name: Tertiary structure elements
Belongs to superGroup 8 : structure
Mandatory Number:
Is Replicable?: yes

Saveframe Description: help text
Contains tag categories:

Saveframe category : theoretical_chem_shifts

Name: Theoretical chemical shifts
Belongs to superGroup 5 : NMR_parameters
Mandatory Number:
Is Replicable?: yes

Saveframe Description: Theoretical chemical shift values are derived either by empirical methods, ab initio calculations, or a combination of the two approaches. Please enter a label for the reported values, the file name for the data, the method used to calculate the chemical shifts, the atomic coordinates used, the label for the chemical shielding tensors, if calculated, and for paramagnetic systems, fermi contact spin density units.
Contains tag categories:

Saveframe category : torsion_angle_constraints

Name: Torsion angle constraints
Belongs to superGroup 8 : structure
Mandatory Number:
Is Replicable?: yes

Saveframe Description: help text
Contains tag categories: