CDXML Name: | fragment |
CDX Constant Name: | kCDXObj_Fragment |
CDX Constant Value: | 0x8003 |
Contained by objects: | kCDXObj_Page, kCDXObj_Group, kCDXObj_Node, kCDXObj_NamedAlternativeGroup |
First written/read in: | ChemDraw 4.0 |
Description:
Fragment object is a collection of nodes and their connectivity (bonds). Generally, all nodes within a fragment will be connected, but this is not strictly guaranteed. For example, a cyclopentadienyl anion might be represented as a single fragment containing five nodes, five bonds, a curve (an ellipse, to represent delocalization), and a graphic (a circled minus charge, to represent the delocalized charge).
Unlike with Group objects, Fragment objects are guaranteed to be chemically meaningful.
A Fragment has no required objects or properties, but a Fragment without any objects is pretty useless.
Subobjects:
Value | Name | CDXML Name | |
0x8004 | kCDXObj_Node | n | |
The basic building block of chemical objects, usually referring to a single atom | |||
0x8005 | kCDXObj_Bond | b | |
A connection between two Node objects. | |||
0x8007 | kCDXObj_Graphic | graphic | |
A (generally non-chemical) graphic object such as a line, arc, circle, or rectangle. | |||
0x8008 | kCDXObj_Curve | curve | |
A Bézier curve. | |||
0x8011 | kCDXObj_ObjectTag | objecttag | |
Arbitrarily named property, one or more of which can be attached to any ChemDraw object. |
Properties:
Value | Name | CDXML Name | Type |
n/a | n/a | id | UINT16 |
A unique identifier for an object, used when other objects refer to it. | |||
0x0204 | kCDXProp_BoundingBox | BoundingBox | CDXRectangle |
The smallest rectangle that encloses the graphical representation of the object. | |||
0x0500 | kCDXProp_Mole_Racemic | Racemic | CDXBoolean |
Indicates that the molecule is a racemic mixture. | |||
0x0501 | kCDXProp_Mole_Absolute | Absolute | CDXBoolean |
Indicates that the molecule has known absolute configuration. | |||
0x0502 | kCDXProp_Mole_Relative | Relative | CDXBoolean |
Indicates that the molecule has known relative stereochemistry, but unknown absolute configuration. | |||
0x0503 | kCDXProp_Mole_Formula | Formula | CDXFormula |
The molecular formula representation of a molecule object. | |||
0x0504 | kCDXProp_Mole_Weight | Weight | FLOAT64 |
The average molecular weight of a molecule object. | |||
0x0505 | kCDXProp_Frag_ConnectionOrder | ConnectionOrder | CDXObjectIDArray |
An ordered list of attachment points within a fragment. |