Hi Cartsen,

yes, I need more information to debug it... I know sending the data may be problematic for you, but if you could fake it (but make sure the program still crash) that would be great. For example, leave just a couple of atoms in your PDB file and distort somehow the reflection data file...

Meanwhile I will try to reproduce it myself.

Pavel.

On 7/21/09 7:54 AM, Schubert, Carsten [PRDUS] wrote:

Assertion Error when using kicked maps in solvent update
Hi

In 1.4.106 I get the following Assertion Error when I use kicked maps (refinement.ordered_solvent.use_kick_maps=True) in the solvent update section:

Traceback (most recent call last):

File "/raidnet/xdata1/programs/phenix-1.4-106/phenix/phenix/command_line/refine.py", line 19, in <module>

    command_line.run(command_name="phenix.refine", args=sys.argv[1:])

File "/raidnet/xdata1/programs/phenix-1.4-106/phenix/phenix/refinement/command_line.py", line 89, in run

    call_back_handler=call_back_handler)

File "/raidnet/xdata1/programs/phenix-1.4-106/phenix/phenix/refinement/driver.py", line 1125, in run

    call_back_handler       = call_back_handler)

File "/raidnet/xdata1/programs/phenix-1.4-106/phenix/phenix/refinement/strategies.py", line 358, in refinement_machine

    log               = log)

File "/raidnet/xdata1/programs/phenix-1.4-106/cctbx_project/mmtbx/solvent/ordered_solvent.py", line 205, in __init__

    use_kick_map = self.params.use_kick_maps).peaks_mapped()

File "/raidnet/xdata1/programs/phenix-1.4-106/cctbx_project/mmtbx/solvent/ordered_solvent.py", line 394, in find_peaks

    log             = self.log)

File "/raidnet/xdata1/programs/phenix-1.4-106/cctbx_project/mmtbx/find_peaks.py", line 98, in __init__

    crystal_gridding_tags = fft_map.tags()

File "/raidnet/xdata1/programs/phenix-1.4-106/cctbx_project/cctbx/maptbx/__init__.py", line 152, in tags

    return crystal_gridding_tags(self)

File "/raidnet/xdata1/programs/phenix-1.4-106/cctbx_project/cctbx/maptbx/__init__.py", line 158, in __init__

    assert gridding.symmetry_flags() is not None

AssertionError

Running from the same .def file w/o kicked maps works fine. Let me know if you need more info to debug this.

Cheers,

Carsten
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