[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

[ccp4bb]: HKLOUT in amore

***  For details on how to be removed from this list visit the  ***
***    CCP4 home page http://www.dl.ac.uk/CCP/CCP4/main.html    ***

    This has to do with the CCP4 4.0 version of amore. The step TABFUN
has an optional output HKLOUT, which is ASCII file containing structure
factor of the model. I have tried using this option, but the programme
fails to write this particular output. Though, using this option in no way
hinders running of the programme. Can anyone spot the bug for me? Is there
another programme that calculates FCAL from coordinate file?