[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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://phenix-online.org/pipermail/phenixbb/attachments/20190225/97ba4ae8/attachment-0001.htm>


More information about the phenixbb mailing list