Could you please send me the exact command you use (including the content of parameter files)? Then I will try to reproduce this failure myself... No need for the mode/data at this point.

Thanks!
Pavel.


On 3/25/09 1:51 PM, Francis E Reyes wrote:
Pavel

Seems to occur in 1.4-3 as well.

Traceback (most recent call last):
   File "/usr/local/phenix-1.4-3/phenix/phenix/command_line/ 
refine.py", line 9, in <module>
     command_line.run(command_name="phenix.refine", args=sys.argv[1:])
   File "/usr/local/phenix-1.4-3/phenix/phenix/refinement/ 
command_line.py", line 89, in run
     call_back_after_monitor_collect=call_back_after_monitor_collect)
   File "/usr/local/phenix-1.4-3/phenix/phenix/refinement/driver.py",  
line 1098, in run
     call_back_after_monitor_collect = call_back_after_monitor_collect)
   File "/usr/local/phenix-1.4-3/phenix/phenix/refinement/ 
strategies.py", line 363, in refinement_machine
     log               = log)
   File "/usr/local/phenix-1.4-3/mmtbx/solvent/ordered_solvent.py",  
line 159, in __init__
     use_kick_map = self.params.use_kick_maps).peaks_mapped()
   File "/usr/local/phenix-1.4-3/mmtbx/solvent/ordered_solvent.py",  
line 334, in find_peaks
     log             = self.log)
   File "/usr/local/phenix-1.4-3/mmtbx/find_peaks.py", line 84, in  
__init__
     map_type          = self.map_type)
   File "/usr/local/phenix-1.4-3/mmtbx/twinning/twin_f_model.py", line  
2344, in fft_map
     w2                = w2)
   File "/usr/local/phenix-1.4-3/mmtbx/twinning/twin_f_model.py", line  
2213, in map_coefficients
     "m_gradient"
AssertionError



FR


On Mar 25, 2009, at 2:26 PM, Pavel Afonine wrote:

  
Hi Francis,

could you try the latest version? I think I this this problem was
reported and fixed sometime ago. Please let us know if you are still
getting this error using the latest version.

Pavel.


On 3/25/09 1:21 PM, Francis E Reyes wrote:
    
====================== bulk solvent modeling and scaling
======================

|--(resolution: 2.00 - 23.08 A; n_refl. =
24304)------------------------------|
|
                                                                             |
| r_work= 0.2462   r_free= 0.2706   ksol= 0.32   Bsol= 47.55   scale=
1.149   |
|
                                                                             |
| overall anisotropic scale matrix (Cartesian basis;
B11,B22,B33,B12,B13,B23):|
| (-2.11,5.80,-3.69,0.00,-0.00,-0.00); trace/3=
-0.00                         |
|
                                                                             |
| maximum likelihood estimate for coordinate error:   None
A                  |
| x-ray target function (twin_lsq_f) for work reflections:
0.346916           |
| twin fraction: 0.03  twin operator: k,h,-
l                                  |
|
-----------------------------------------------------------------------------|

================== ordered solvent: location/analysis/update
==================

Start model:
  number           = 165
  b_iso_min        = 37.62   (limit = 1.00)
  b_iso_max        = 70.26   (limit = 50.00)
  b_iso_mean       = 49.33
  anisotropy_min   = 1.00    (limit = 0.10)
  occupancy_min    = 1.00    (limit = 1.00)
  occupancy_max    = 1.00    (limit = 1.00)
  dist_sol_mol_min = 2.45    (limit = 1.80)
  dist_sol_mol_max = 4.94    (limit = 6.00)
Filtered:
  number           = 71
  b_iso_min        = 37.71   (limit = 1.00)
  b_iso_max        = 49.89   (limit = 50.00)
  b_iso_mean       = 45.14
  anisotropy_min   = 1.00    (limit = 0.10)
  occupancy_min    = 1.00    (limit = 1.00)
  occupancy_max    = 1.00    (limit = 1.00)
  dist_sol_mol_min = 2.45    (limit = 1.80)
  dist_sol_mol_max = 3.99    (limit = 6.00)
Traceback (most recent call last):
  File "/usr/local/phenix-1.3-final/phenix/phenix/command_line/
refine.py", line 5, in <module>
    command_line.run(command_name="phenix.refine", args=sys.argv[1:])
  File "/usr/local/phenix-1.3-final/phenix/phenix/refinement/
command_line.py", line 89, in run
    call_back_after_monitor_collect=call_back_after_monitor_collect)
  File "/usr/local/phenix-1.3-final/phenix/phenix/refinement/
driver.py", line 1081, in run
    call_back_after_monitor_collect =  
call_back_after_monitor_collect)
  File "/usr/local/phenix-1.3-final/phenix/phenix/refinement/
strategies.py", line 364, in refinement_machine
    log               = log)
  File "/usr/local/phenix-1.3-final/mmtbx/mmtbx/solvent/
ordered_solvent.py", line 159, in __init__
    use_kick_map = self.params.use_kick_maps).peaks_mapped()
  File "/usr/local/phenix-1.3-final/mmtbx/mmtbx/solvent/
ordered_solvent.py", line 332, in find_peaks
    log             = self.log)
  File "/usr/local/phenix-1.3-final/mmtbx/mmtbx/find_peaks.py", line
85, in __init__
    symmetry_flags    = maptbx.use_space_group_symmetry)
  File "/usr/local/phenix-1.3-final/mmtbx/mmtbx/twinning/
twin_f_model.py", line 2244, in electron_density_map
    "m_gradient")
AssertionError



phenix version is 1.3 final.

Ideas?

thanks!

FR

---------------------------------------------
Francis 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://www.phenix-online.org/mailman/listinfo/phenixbb

      
_______________________________________________
phenixbb mailing list
[email protected]
http://www.phenix-online.org/mailman/listinfo/phenixbb
    

---------------------------------------------
Francis 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://www.phenix-online.org/mailman/listinfo/phenixbb