Obtaining Products.
Which file formats are
supported in PreQuest?
Raw data can be read into the program in a number of different formats, including: cif, shelx, sd, mol2 and bccab (a CCDC file format).
How can I remove an entry from
my database?
First ensure that the database is in ASER format, then change the refcode of the entry you wish to delete
to DELETEME. Upon selecting the next entry, from the refcode list, you will be presented with
the option: Delete <refcode> from database? PreQuest will then ask for confirmation, and the
entry will be marked for removal.
If I edit an existing entry and
then try to export it I get the error:
Not able to export - Refcode already exists?
It is not possible to save an edited database entry that has a pre-existing refcode.
This is due to security reasons and is designed to prevent accidental loss of data and
duplication of refcodes. In order to edit a database entry in this manner it is necessary to give the
amended entry a new refcode. Unfortunately, this also means that in order to then export the database,
the refcodes of all entries would require changing. This is not a realistic option, for large
databases. Therefore, you should simply use a different database name when exporting.
How can I customise
PreQuest's default gui?
It is possible to customise the layout of the 1D box in PreQuest's main
window. To do so please follow the instructions detailed in this Customisation Guide.
