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Results for cif 1171 to 1185 of 3458 results.
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Ichem_comp_bond.value_order.html: Index Macromolecular dictionary (mmCIF) version 2.0.09 _chem_comp_bond.value_orderName:'_chem_comp_bond.value_order' Definition: The value that should be taken as the target for the chemical bond associated with the specified atoms, expressed as a bond order. Type: ucode Mandatory item: no The data value must be one of the ... ...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Ichem_comp_bond.value_order.html

Ichem_comp_bond.value_dist_esd.html: Index Macromolecular dictionary (mmCIF) version 2.0.09 _chem_comp_bond.value_dist_esdName:'_chem_comp_bond.value_dist_esd' Definition: The standard uncertainty (estimated standard deviation) of _chem_comp_bond.value_dist. Type: float Mandatory item: no The permitted range is [0.0, infinity) Related item: _chem_comp_bond.value_dist (associated_value) Category: chem_comp_bond...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Ichem_comp_bond.value_dist_esd.html

Ichem_comp_bond.value_dist.html: Index Macromolecular dictionary (mmCIF) version 2.0.09 _chem_comp_bond.value_distName:'_chem_comp_bond.value_dist' Definition: The value that should be taken as the target for the chemical bond associated with the specified atoms, expressed as a distance. Type: float Type conditions: esd Mandatory item: no The permitted range is [0.0, infinity ... ...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Ichem_comp_bond.value_dist.html

Ichem_comp_bond.atom_id_2.html: Index Macromolecular dictionary (mmCIF) version 2.0.09 _chem_comp_bond.atom_id_2Name:'_chem_comp_bond.atom_id_2' Definition: The ID of the second of the two atoms that define the bond. This data item is a pointer to _chem_comp_atom.atom_id in the CHEM_COMP_ATOM category. Mandatory item: yes...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Ichem_comp_bond.atom_id_2.html

Ichem_comp_bond.atom_id_1.html: Index Macromolecular dictionary (mmCIF) version 2.0.09 _chem_comp_bond.atom_id_1Name:'_chem_comp_bond.atom_id_1' Definition: The ID of the first of the two atoms that define the bond. This data item is a pointer to _chem_comp_atom.atom_id in the CHEM_COMP_ATOM category. Mandatory item: yes...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Ichem_comp_bond.atom_id_1.html

Cchem_comp_bond.html: Index Macromolecular dictionary (mmCIF) version 2.0.09 Category CHEM_COMP_BOND Name: 'chem_comp_bond' Description: Data items in the CHEM_COMP_BOND category record details about the bonds between atoms in a chemical component. Target values may be specified as bond orders, as a distance between the two atoms, or both. ... ...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Cchem_comp_bond.html

Ichem_comp_atom.type_symbol.html: Index Macromolecular dictionary (mmCIF) version 2.0.09 _chem_comp_atom.type_symbolName:'_chem_comp_atom.type_symbol' Definition: This data item is a pointer to _atom_type.symbol in the ATOM_TYPE category. Mandatory item: yes...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Ichem_comp_atom.type_symbol.html

Ichem_comp_atom.substruct_code.html: Index Macromolecular dictionary (mmCIF) version 2.0.09 _chem_comp_atom.substruct_codeName:'_chem_comp_atom.substruct_code' Definition: This data item assigns the atom to a substructure of the component, if appropriate. Type: ucode Mandatory item: no The data value must be one of the following: main main chain of an amino acid side ... ...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Ichem_comp_atom.substruct_code.html

Ichem_comp_atom.model_Cartn_z_esd.html: Index Macromolecular dictionary (mmCIF) version 2.0.09 _chem_comp_atom.model_Cartn_z_esdName:'_chem_comp_atom.model_Cartn_z_esd' Definition: The standard uncertainty (estimated standard deviation) of _chem_comp_atom.model_Cartn_z. Type: float Mandatory item: no Related item: _chem_comp_atom.model_Cartn_z (associated_value) Category: chem_comp_atom...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Ichem_comp_atom.model_Cartn_z_esd.html

Ichem_comp_atom.model_Cartn_y_esd.html: Index Macromolecular dictionary (mmCIF) version 2.0.09 _chem_comp_atom.model_Cartn_y_esdName:'_chem_comp_atom.model_Cartn_y_esd' Definition: The standard uncertainty (estimated standard deviation) of _chem_comp_atom.model_Cartn_y. Type: float Mandatory item: no Related item: _chem_comp_atom.model_Cartn_y (associated_value) Category: chem_comp_atom...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Ichem_comp_atom.model_Cartn_y_esd.html

Ichem_comp_atom.model_Cartn_y.html: Index Macromolecular dictionary (mmCIF) version 2.0.09 _chem_comp_atom.model_Cartn_yName:'_chem_comp_atom.model_Cartn_y' Definition: The y component of the coordinates for this atom in this component specified as orthogonal angstroms. The choice of reference axis frame for the coordinates is arbitrary. The set of coordinates input for the ... ...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Ichem_comp_atom.model_Cartn_y.html

Ichem_comp_atom.model_Cartn_x_esd.html: Index Macromolecular dictionary (mmCIF) version 2.0.09 _chem_comp_atom.model_Cartn_x_esdName:'_chem_comp_atom.model_Cartn_x_esd' Definition: The standard uncertainty (estimated standard deviation) of _chem_comp_atom.model_Cartn_x. Type: float Mandatory item: no Related item: _chem_comp_atom.model_Cartn_x (associated_value) Category: chem_comp_atom...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Ichem_comp_atom.model_Cartn_x_esd.html

Ichem_comp_atom.model_Cartn_x.html: Index Macromolecular dictionary (mmCIF) version 2.0.09 _chem_comp_atom.model_Cartn_xName:'_chem_comp_atom.model_Cartn_x' Definition: The x component of the coordinates for this atom in this component specified as orthogonal angstroms. The choice of reference axis frame for the coordinates is arbitrary. The set of coordinates input for the ... ...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Ichem_comp_atom.model_Cartn_x.html

Ichem_comp_atom.comp_id.html: Index Macromolecular dictionary (mmCIF) version 2.0.09 _chem_comp_atom.comp_idName:'_chem_comp_atom.comp_id' Definition: This data item is a pointer to _chem_comp.id in the CHEM_COMP category. Mandatory item: yes...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Ichem_comp_atom.comp_id.html

Ichem_comp_atom.charge.html: Index Macromolecular dictionary (mmCIF) version 2.0.09 _chem_comp_atom.chargeName:'_chem_comp_atom.charge' Definition: The net integer charge assigned to this atom. This is the formal charge assignment normally found in chemical diagrams. Examples: 1 for an ammonium nitrogen -1 for a chloride ion Type: int Mandatory item: no The permitted range ... ...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Ichem_comp_atom.charge.html

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