Hi Nigel,

yes, I did follow the instructions and afitt is running. Path is set. It should be properly installed.

The afitt gui works to write inputs for refmac and calls also refmac. The afitt gui prepares also the input files for phenix but phenix.refine fails then with the error below.

"Sorry: Unknown command line parameter definition: use_afitt = True"

Same in the command line or if I try afitt.run_tests. It looks as if phenix does not recognize the keyword use_afitt=True.

PS: There must be also a typo on the instructions page:

The example on the page for the command is :

phenix.refine mymodel.pdb mymodel.mtz myligand.cif use_afitt=True
       afitt.ligand_file=myligand.cif afitt.ligand_names=UNL,BCL

Below in the list of required keywords it is

"afitt.ligand_file_name"

Anyhow this is not the cause for the error.

I guess I overlook some detail. I will test some older versions and the latest builds.

I wish you have some relaxing days! Season Greetings and best wishes, Guenter

PPS there is absolutely no hurry for this,cheers

AFITT is still supported and tested nightly.

Did you follow the instructions here?

https://www.phenix-online.org/documentation/reference/afitt.html

Cheers

Nigel

---

Nigel W. Moriarty
Building 33R0349, Molecular Biophysics and Integrated Bioimaging

Lawrence Berkeley National Laboratory
Berkeley, CA 94720-8235
Phone : 510-486-5709 Email : [email protected]
Fax : 510-486-5909 Web : CCI.LBL.gov

On Fri, Dec 21, 2018 at 2:55 AM Guenter Fritz <[email protected]> wrote:

Dear phenix developers,

I am trying to run phenix.refine with afitt (phenix 1.14 3260, afitt
2.4.1.2). However, I receive the an error:

"Sorry: Unknown command line parameter definition: use_afitt = True"

This I get on my mac or on my linux box. Is support for afitt discontinued?

Any help is appreciated. Thanks and best regards,

Guenter
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