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Сreating a new database from CIF, SHELX or Systre formats.
Algorithm:
1. Run ToposPro.
2. Go to the Database menu section and select Import.
3. Select type of files (*.cif) to be converted.
4. Select files to be converted (you may select as many files as you need using Ctrl-Click or Shift-Click). In the present case you should select two files: task 1_1 and task 1_2
5. Click Open (or, if you selected only one file, Double-Click on the file name) and type the name of the database (e.g. CIF) to store the compounds processed.
6. Click Open again, or hit Enter.
7. Answer Yes when ToposPro asks you 'Create database...' and enter 1 as default user code, hit Enter.
8. ToposPro informs you on the number of the compounds processed:
9. Click OK and the database with thhttps://topospro.com/software/topospro/manual/creating-a-new-database-from-cif-shelx-or-systre-formats/e compounds processed will be opened.
10. Repeat steps 2-9 to create a database Systre with the records from Systre *.cgd files.
11. Repeat steps 2-9 to add records from SHELX *.res files to the CIF database. For this purpose choose the name CIF from the list of the database at step 5. Click Yes as an answer to the request. For possible error during converting see the file Report.txt.
12. Rename the database CIF to CIF_RES using Rename command from the Database menu section.
Algorithm:
1. Run ToposPro.
2. Go to the Database menu section and select Import.
3. Select type of files (*.cif) to be converted.
4. Select files to be converted (you may select as many files as you need using Ctrl-Click or Shift-Click). In the present case you should select two files: task 1_1 and task 1_2
5. Click Open (or, if you selected only one file, Double-Click on the file name) and type the name of the database (e.g. CIF) to store the compounds processed.
6. Click Open again, or hit Enter.
7. Answer Yes when ToposPro asks you 'Create database...' and enter 1 as default user code, hit Enter.
8. ToposPro informs you on the number of the compounds processed:
9. Click OK and the database with thhttps://topospro.com/software/topospro/manual/creating-a-new-database-from-cif-shelx-or-systre-formats/e compounds processed will be opened.
10. Repeat steps 2-9 to create a database Systre with the records from Systre *.cgd files.
11. Repeat steps 2-9 to add records from SHELX *.res files to the CIF database. For this purpose choose the name CIF from the list of the database at step 5. Click Yes as an answer to the request. For possible error during converting see the file Report.txt.
12. Rename the database CIF to CIF_RES using Rename command from the Database menu section.
