The reflection file which must be present. However, you may convert a reflection file in a local format using the option provided. The .frefa file may be used in the Dirdif system as well.
The Dirdif system file which contains the crystallographic data on your compound. This may be prepared interactively.
For each random start this gives the determinant value obtained as well as the values of R2 and R2 expected found by Autofour.
Contains a log of all Crunch's runs submitted from this directory from the last 'clear' command onwards.
Similar to 'drivers/deter.asc'. Values specified will override defaults in 'drivers/deter.asc'.
As 'deter.use' but redefining the input to Autofour.
The output of the program Deter. Only the output of the last run is kept.
The output of Autofour's last attempt.
The last two files are not present if the Crunch run was successful. The following files are present in the case of success only.
This file contains relevant information on the proceedings leading up to the result.
The coordinates in spf format. This file may be used to prepare plots of the molecule(s) found using Pluton or Platon.
The file contains all output generated during the last successful attempt.
The coordinates in Protein data bank format. Input for Rasmol.