[phenixbb] phenix.map_to_model input mtz file failure

Terwilliger, Thomas Charles terwilliger at lanl.gov
Tue Jun 6 19:32:14 PDT 2017

Hi Wei,

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,

Tom T

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.
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.

Wei Ding
P.O.Box 603
The Institute of Physics,Chinese Academy of Sciences
Tel: +86-10-82649083
E-mail: dingwei at iphy.ac.cn<mailto:wangli at moon.ibp.ac.cn>

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