[phenixbb] molprobity in phenix 1.14
Roberto Marabini
roberto at cnb.csic.es
Mon Feb 25 02:43:11 PST 2019
Hi,
In the past (phenix 1.13) I have been able to execute molprobity with the
command line:
==============
phenix.python
/usr/local/phenix-1.14-3260/modules/cctbx_project/mmtbx/command_line/molprobity.py
/home/roberto/sda/ScipionUserData/projects/TestMolprobityValidation2/Runs/000170_PhenixProtRunMolprobity/extra/5ni1.cif
map_file_name=/home/roberto/sda/ScipionUserData/projects/TestMolprobityValidation2/Runs/000170_PhenixProtRunMolprobity/extra/molprobity.mrc
d_min=2.200000 pickle=True
pdb_interpretation.clash_guard.nonbonded_distance_threshold=None nproc=4
pdb_interpretation.clash_guard.nonbonded_distance_threshold=None
==================
Unfortunately, for version 1.14 I get the error:
==========================
Traceback (most recent call last):
File
"/usr/local/phenix-1.14-3260/modules/cctbx_project/mmtbx/command_line/molprobity.py",
line 310, in <module>
run(sys.argv[1:])
File
"/usr/local/phenix-1.14-3260/modules/cctbx_project/mmtbx/command_line/molprobity.py",
line 193, in run
map_params=params)
File
"/usr/local/phenix-1.14-3260/modules/cctbx_project/mmtbx/validation/molprobity/__init__.py",
line 216, in __init__
molprobity_map_params=map_params.input.maps)
File
"/usr/local/phenix-1.14-3260/modules/cctbx_project/mmtbx/validation/experimental.py",
line 198, in __init__
from mmtbx.command_line.map_model_cc import get_fsc
ImportError: No module named map_model_cc
==============
That is, there is an error in the line
"from mmtbx.command_line.map_model_cc import get_fsc"
By the way, if I just run the command:
==============
phenix.python
/usr/local/phenix-1.14-3260/modules/cctbx_project/mmtbx/command_line/molprobity.py
/home/roberto/sda/ScipionUserData/projects/TestMolprobityValidation2/Runs/000170_PhenixProtRunMolprobity/extra/5ni1.cif
==================
the program is executed without any problem.
What should I do in order to execute molprobity.py with the
option map_file_name.
best wishes
Roberto
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