1. ISIS Base: export an existing database into new local database.

 

File > Export > Local Database.

 

Database > View Definition > Save as text file: Fields of LOCALMX.DB:

 

0 MOL Parent

1 MOLREGNO Integer

2 MOLNAME Variable Text

3 MOLSTRUCTURE Structure

4 *fmla_MOLSTRUCTURE Formula

5 *mol.weight_MOLSTRUCTURE Real

6 MODEL_LINK Parent

7 LIST_OF_MODELS Integer

8 MODEL Parent

9 MODELREGNO Integer

10 MODELNAME Variable Text

11 MODELSTRUCTURE Structure

12 *fmla_MODELSTRUCTURE Formula

13 *mol.weight_MODELSTRUCTURE Real

14 MOLREGNO Integer

15 METHOD Variable Text

16 PER_ATOM Parent

17 ATOM_NUMBER Integer

18 CHARGE Real

19 ATOM_PAIR Parent

20 ATOM1_NUMBER Integer

21 ATOM2_NUMBER Integer

22 J_COUPLING Real

23 CORP_ID[12] Fixed Text

24 DATE Date

25 ALTERNATE.NAMES Parent

26 ALTERNATE.NAMES Variable Text

27 MELTING.POINT Parent

28 MELTING.POINT Range

29 BOILING.POINT Parent

30 BOILING.POINT Range

31 ACTIVITY Variable Text

 

 

The maximal length of any Field name is 30 characters.

 

2. ISIS Base. Creating a New Database.

 

1. File > Close Database

 

2. File > New Database > File Name box (select Local, or/and Password)

 

3. Input (Add or Edit)

Field name

Field Type

(NB: since a type of the field is once defined, it could not be further modified)

Parent

 

Example:

no

field

field type

Notes

1

MOL_ID

Integer

Edit ID

2

Molname

Fixed text

text length: 80

3

Structure

Structure

External name: *structure

4

Synonyms

Parent

Parent: Synonyms

5

SYN_ID

Integer

 

6

synonym

Fixed text

text length: 75

 

 

 

 

 

4. Save the Database.

 

5. Prepare form:

Draw a box -> define box properties -> give names for the labels and fields

Draw a table -> define table properties -> give names for columns and column labels.

Save form

 

6. Importing *.SDF or *.RDF

UPDATE mode > File > Import > File_name.SDF or File_name.RDF to import data to the root level. The name of the external field must be *structure and *rxn for the structure field and reaction field, respectively. Set Prompt option and then Add new record including structure to import duplicate data.

 

7. Import data to the hierarchic branches.

UPDATE mode -> File > Import > Table...

 

Example: importing data from the CS-DEMO(ChemFinder) database

In ChemFinder:

  1. Export data as CS-DEMO.SDF file.
  2. Disconnect tables.
  3. Export the data from the Subform as Delimited text

 

In Isis Base:

  1. UPDATE mode > File > Import > CS-DEMO.SDF
  2. UPDATE mode -> File > Import > Table -> Step4 instead of SYN_ID use MOL_ID.