Hello,
I have started using phenix.maps to calculate some kicked omit maps and
had two questions:
1) is there a way to control parameters such as the initial random seed
or number of kick iterations? Different runs with the same params and
input files appear to give different map coefficient outputs.
2) after what appears to be a successful run on a pdb containing two
rna chains and solvent atoms I (a) removed all non-RNA atoms and (b)
moved all RNA atoms to corresponding symmetry locations within the ASU.
No other changes were involved but I now receive the following python
stack trace:
Compute maps.
Traceback (most recent call last):
File "/home/afyfe/phenix/phenix-1.
6.1-357/cctbx_project/mmtbx/command_line/maps.py",
line 192, in <module>
run(args=sys.argv[1:])
File
"/home/afyfe/phenix/phenix-1.6.1-357/cctbx_project/mmtbx/command_line/maps.py",
line 168, in run
params = params.maps.map_coefficients)
File
"/home/afyfe/phenix/phenix-1.6.1-357/cctbx_project/mmtbx/maps/__init__.py",
line 295, in __init__
coeffs = map_coefficients_from_fmodel(fmodel = fmodel, params = mcp)
File
"/home/afyfe/phenix/phenix-1.6.1-357/cctbx_project/mmtbx/maps/__init__.py",
line 257, in map_coefficients_from_fmodel
average_maps = False).map_coeffs
File
"/home/afyfe/phenix/phenix-1.6.1-357/cctbx_project/mmtbx/map_tools.py",
line 73, in __init__
map_helper_obj = fmodel.map_calculation_helper()
AttributeError: 'twin_model_manager' object has no attribute
'map_calculation_helper'
thanks,
Alastair