Hi Tassos, Yes, that looks correct. As I mentioned to Leo earlier today, the way to set it up will be considerably simplified in the next version. All the best, Tom T On Jan 14, 2009, at 9:07 AM, Anastassis Perrakis wrote:
Hi all -
I have a good quality native set (to 2.2) and two derivatives going to about 3.5. Ano signal is there but in a good day you would call it 4.5 A, unless you ask xtriage and it tells you it is up to 7-8 A.
Since SAD does not appear to work (Hyss seems to think it finds sites in one dataset but I am less than convinced, cc of 20-35% depending on resolution cutoffs), rather low FOMs from phaser (0.5 -0.3), I thought to treat it as MIRAS of some sort.
Is the correct way in the phenix.autosol wizard to treat that as two SIRAS datasets ?
cell 79.9201 80.1374 142.2119 90.0000 90.0000 90.0000 # cell params resolution 2.2 # Resolution input_seq_file ttk.seq ############## DATASET 1 ################ expt_type sir # MIR dataset is set of SIR datasets input_file_list nat_201208_9_scala1.sca se_cd474a_p212121_scala1.sca # Native and deriv 1 nat_der_list Native Se1 # identify files by ha type inano_list noinano inano # say if ano diffs to be used n_ha_list 0 8 # number of heavy-atoms run_list start # read in datafiles for dataset run_list read_another_dataset # about to start a new dataset here ############## DATASET 2 ################ expt_type sir # our second dataset is SAD input_file_list nat_201208_9_scala1.sca se_ca560a_5_p212121_scala1.sca # Native and deriv 1 nat_der_list Native Se2 # identify files by ha type inano_list noinano inano # say if ano diffs to be used n_ha_list 0 8 # number of heavy-atoms #########################################
A.
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