New command of main menu File item is used to create a new database or library. To do it:
The file: *.cdb will be created. When some data will be added to the database, files *.000, *.001... etc will be created.
To edit Table form for open database:
The Record contents window will be arranged in agreement with the Table form edited.
To edit Form for open database:
The Record contents window will be arranged in agreement with the form edited.
The Structure is created by Structure Editor (STRED) and consist of connectivity matrix and atomic screen coordinates.
Structure field is obligatory in library. Chemical Structure is optional field, but all operations are similar.
Two modes of importing into open database are possible:
In first case the information, changing the database content may be imported:
To import data:
To export dataset as SDF or RDF file:
Some fields are transformed into another type in SDF: | |
---|---|
CheD | SDF |
Real+units | Real |
Boolean | String |
Calculated | String |
Picture | Can not be exported |
Object | Can not be exported |
Date | String |
Record | Separated fields of the record are exported |
Function | Can not be exported |
Packed Array | Text |
Chemical Structure | Can not be exported |
Ranged | Text |
Arrays | Text |
WWW Link | Text |
Database Link | Text |
Warning! Due to data types transformations created by CheD SDF file is not garanteed to be read by CheD without data missing!
List type field is used to store string data from the defined list. Each string has its own numerical code, which is stored in the database.