[phenixbb] AutoSol/PhaserSAD with more than one anomalously-scattering atom produces error...

[Thomas C. Terwilliger]

Hi Francis,

I am sorry about the problem! I didn't know that 1.6-289 had this
bug...but it seems to be corrected in my current version (1.6-609) so I
think that moving to a more recent version is the best solution.

I just ran this:

phenix.autosol w1.sca seq_file=seq.dat quick=True ncs_copies=1 build=false
se mad_ha_add_list="Br Pt" mad_ha_add_f_prime_list=" -7 -10"
mad_ha_add_f_double_prime_list=" 4.2 12" sites_file=ha.pdb

and it added the two extra ha types fine and read the sites from ha.pdb. 
Hopefully this will do what you are looking for.

All the best,
Tom T



>> Hi all
>>
>> I'm getting an error...
>>
>> "'InputEP_SAD' object has no attribute 'addSCAT_TYPE'"
>>
>>
>> from autosol.
>>
>> Facts:
>>
>> - phenix-1.6-289
>>
>> - SAD experiment with two types of anomalous scatterers in the xtal,
>> data is the peak wavelength of one of the anomalous scatterers.
>>
>> - sites are input from a previous phaser run (ha_x.pdb_formatted.pdb)
>>
>> - the atom positions are likely correct, but the atom types are all
>> the same atom (I'd like phenix/phaser to go through the list and
>> reannotate/refine based on the proper heavy atom identities)
>>
>> - additional atom types/f'/f'' defined in autosol.eff, Using the
>> documentation example "SAD with more than one anomalously-scattering
>> atom" (http://www.phenix-online.org/documentation/autosol.htm).
>>
>>
>> Thanks!
>>
>> F
>>
>> ---------------------------------------------
>> Francis E. Reyes M.Sc.
>> 215 UCB
>> University of Colorado at Boulder
>>
>> gpg --keyserver pgp.mit.edu --recv-keys 67BA8D5D
>>
>> 8AE2 F2F4 90F7 9640 28BC  686F 78FD 6669 67BA 8D5D
>>
>>
>>
>>
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