[sharp-discuss] SAD phase autosharp input

[Yi Xue]

Dear all:

    I tried to run a heavy atom refinment and phasing job using SAD data.


     I edited a pir file as required, but an error msg constantly showed:

     ' second line of sequence file wrong: the second line of your sequence
file ... should be empty - please check the format description in the
documentation, correct this and re-start'

     Another wrong msg is about the mtz file:
    'ERROR:  Neither FMID nor SMID given for wavelength 1'

     However, I did modify the card lables,  below is from the head
information of my mtz file:

   * Column Labels :

 H K L FreeR_flag FMID SMID DANO SANO F_New(+) SIGF_New(+) F_New(-)
SIGF_New(-) IMEAN_New SIGIMEAN_New I_New(+) SIGI_New(+) I_New(-) SIGI_New(-)
ISYM

   I am quite confused and I am also wondering is there any way to designate
the column labels in autosharp for SAD phasing?

thanks
Yi