Re: [phenixbb] Request for C shell script file for phenix.refine

Hi Peter, Thanks a lot for your suggestions. Its close but not completely happy yet. So, I generated the file as you suggested, several of the commands are understandable, and I can run it after modification as: $ phenix.refine wrote:

The easiest way is to have a parameter file that you edit. The easiest way to get a parameter file is by typing

phenix.refine <model> <data> --dry_run

and use the subsequently generated ???_refine_001.eff file.

rename that eff file to something like

parameters.def

which you can use for subsequent customisations and editing of parameters.

Not ethat every time you finish a refinement job, a new def file is generated of rthe next round, updating the model info for further rounds of refinement.

P

2007/9/28, Partha Chakrabarti :

...

Hi,

I am wondering if one can have master scripts (C shell) for the macro cycle of phenix.refine that can be used from the command line. It is easier to comment out an option than having to type the whole thing.. has anybody tried it? Similar scripts exist for solve/resolve and phaser..

I should not say it, I am myself not adverse to using the GUI, it is just easier when the poor postdoc sits with the boss.. typically I face the question: where is the script file & where is the log file :))

Cheers, Partha

-- MRC National Institute for Medical Research Division of Molecular Structure The Ridgeway, NW7 1AA, UK Email: [email protected] Phone: + 44 208 816 2515 _______________________________________________ phenixbb mailing list [email protected] http://www.phenix-online.org/mailman/listinfo/phenixbb

_______________________________________________ phenixbb mailing list [email protected] http://www.phenix-online.org/mailman/listinfo/phenixbb

-- MRC National Institute for Medical Research Division of Molecular Structure The Ridgeway, NW7 1AA, UK Email: [email protected] Phone: + 44 208 816 2515