Hi Francis, The current (including 1.4-87) phenix autosol command-line interpreter won't let you specify "native.something=something" and "native.something_else=something_else". In this case you have to use a parameters file, as you found out. In more recent versions an error message tries to make this more clear, and with your inputs would give this output: Please use a parameters file for this run...you cannot have more than one native.xxx= or more than one deriv.xxx= or more than one wavelength.xxx= on the command line...Your command includes: native.data=native.sca native.labels=IMEAN SIGIMEAN which uses 'native'.xxx 2 times. All the best, Tom T
Yowza,,
command line parsing of options to autosol.eff seems to be broken in 1.4-87 (at least with this command line).
Editing the autosol.eff and properly formatting deriv and native helped.
FR
On Jul 31, 2009, at 3:04 PM, Francis E Reyes wrote:
All
When issuing
phenix.autosol native.data=scala_072809B_3_001.mtz deriv.data=scala_072909A_3_001.mtz deriv.atom_type=Ir deriv.sites=5 deriv.inano=noinano native.labels='IMEAN SIGIMEAN' deriv.labels='IMEAN SIGIMEAN'
I get the error
**************************************** AutoSol Input failed For SIR datasets please enter two datafiles or datasets.(native +deriv) Please treat MIR as a series of SIR datasets
...to specify a particular set of data you can specify one of the following (command-line format shown, for a script take out the '=' and use the keyword 'group_labels_list' instead):
native.labels='IMEAN SIGIMEAN' deriv.labels='IMEAN SIGIMEAN' native.labels='I(+) SIGI(+) I(-) SIGI(-)' deriv.labels='I(+) SIGI(+) I(-) SIGI(-)'
****************************************
Any ideas?
thanks
FR
--------------------------------------------- Francis Reyes M.Sc. 215 UCB University of Colorado at Boulder
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