[phenixbb] phenix.map_to_model input mtz file failure
Terwilliger, Thomas Charles
terwilliger at lanl.gov
Tue Jun 6 19:32:14 PDT 2017
I'm sorry for the trouble!
If you supply an MTZ file that has FWT,PHFWT or similar labels, then you can skip the "labels=...." statement and it should run.
Let me know if that does not work!
All the best,
From: phenixbb-bounces at phenix-online.org <phenixbb-bounces at phenix-online.org> on behalf of dancingdream at 163.com <dancingdream at 163.com>
Sent: Tuesday, June 6, 2017 8:19 PM
To: phenixbb at phenix-online.org
Subject: [phenixbb] phenix.map_to_model input mtz file failure
Dear Phenix bb,
I intend to build a initial model by phenix.map_to_model. And the command line is as follows:
phenix.map_to_model_1.12rc0-2787 map_coeffs_file=../rep_dm.mtz map_coeffs_labels="'FP,SIGFP' 'PHIDM' 'FOMDM'" seq_file=../resolve.seq is_crystal=True use_sg_symmetry=True density_select=False truncate_at_d_min=True
and the feedback like this:
Sorry: No initial assignment made for map_coeffs. Labels used: FP,SIGFP PHIDM FOMDM.
Available labels: ['PHIB', 'FOM', 'HLA,HLB,HLC,HLD', 'FP,SIGFP', 'PHIDM', 'FOMDM', 'FDM', 'HLADM,HLBDM,HLCDM,HLDDM']
NOTE: grouped labels like 'FP,SIGFP' must stay together,
have commas, and have no spaces. If they come from an MTZ file,
they must be in adjacent columns as well.
Suggested labels to use: PHIDM FOMDM
I try many other input format of map_coeffs_labels, such as
map_coeffs_labels="FP,SIGFP PHIDM FOMDM"
map_coeffs_labels=["FP,SIGFP PHIDM FOMDM"]
but the result is the same. Dose anyone can tell me how to fix this problem?
Thank a lot.
The Institute of Physics,Chinese Academy of Sciences
E-mail: dingwei at iphy.ac.cn<mailto:wangli at moon.ibp.ac.cn>
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