Exemple #1
0
def check_contaminants_if_bad(wf, mtz):
    ref_job = wf.get_final_refinement_job()
    if not ref_job or ref_job.data.get('free_r', 1) > GOOD_FINAL_RFREE:
        mtz_meta = wf.read_mtz_metadata(mtz)  # it's cached
        info = contaminants.get_info(mtz_meta)
        if info:
            comment('\n' + info)
Exemple #2
0
def check_contaminants_if_bad(wf, mtz):
    ref_job = wf.get_final_refinement_job()
    if not ref_job or ref_job.data.get('free_r', 1) > GOOD_FINAL_RFREE:
        mtz_meta = wf.read_mtz_metadata(mtz)  # it's cached
        info = contaminants.get_info(mtz_meta)
        if info:
            comment('\n' + info)
Exemple #3
0
def special_mtz_mode(args):
    print('Usage: %s' % USAGE_SHORT)
    check_ccp4_envvars()
    wf = workflow.Workflow('')
    wf.enable_logs = False
    try:
        mtz_meta = wf.read_mtz_metadata(args[0])
        print('Basic MTZ file info:')
        print(mtz_meta.info())
        contam_info = contaminants.get_info(mtz_meta)
        if contam_info:
            print(contam_info)
    except (IOError, RuntimeError) as e:
        put_error(e)
Exemple #4
0
def special_mtz_mode(args):
    print 'Usage: %s' % USAGE_SHORT
    check_ccp4_envvars()
    wf = workflow.Workflow('')
    wf.enable_logs = False
    try:
        mtz_meta = wf.read_mtz_metadata(args[0])
        print 'Basic MTZ file info:'
        print mtz_meta.info()
        contam_info =  contaminants.get_info(mtz_meta)
        if contam_info:
            print contam_info
    except (IOError, RuntimeError) as e:
        put_error(e)