AutoSol/PhaserSAD with more than one anomalously-scattering atom produces error...
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
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
_______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb
participants (2)
-
Francis E Reyes
-
Thomas C. Terwilliger