[buster-discuss] [EXTERNAL] Re: Documentation on some commandline options for refine

[Robert Oeffner]

Thank you.

Robert

-----Original Message-----
From: BUSTER Developers <buster-discuss at globalphasing.com>
Sent: 23 September 2025 12:10
To: Robert Oeffner <robert.oeffner at astx.com>
Cc: buster-discuss at globalphasing.com
Subject: [EXTERNAL] Re: [buster-discuss] Documentation on some commandline options for refine

Dear Robert,

On Tue, Sep 23, 2025 at 10:51:49AM +0000, Robert Oeffner via buster-discuss wrote:
> Dear Buster developers,
>
> At my work I am porting an in-house wrapper script for buster into a python script. To that end I am reading up on some of the command line options that we use. But I fail to find documentation for some of the options such as "wtors=<float>", "-n <int>" and "-N <int>", which is part of the commandline options that we supply to the refine program. I guess the above options are torsion restrant weight, nsmall and nbig although I am not sure.
>
> Would you be able to point me to documentation about this? I have been
> looking at BUSTER Documentation :
> Usage<https://www.globalphasing.com/buster/manual/autobuster/manual/au
> toBUSTER4.html#refine_args_r> BUSTER Documentation : Appendix
> 1<https://www.globalphasing.com/buster/manual/autobuster/manual/append
> ix1.html> DocumentationTopPage -
> Kwiki<https://www.globalphasing.com/buster/wiki/index.cgi?Documentatio
> nTopPage>
> but to no avail.
>
> Many thanks,
>
> Robert

The wtors variable refers to the (relative) weight for the torsion terms in the geometry part of the total function that is being optimised. It is the same as GeometryWeight_torsion (see [1] and [2]).
As you can see the default is 2.0. It is rarely changed.


Hope this helps,

ClAuS (for BUSTER Developers)

[1] Section 3 of https://www.globalphasing.com/buster/manual/autobuster/manual/autoBUSTER6.html#parameters
[2] https://www.globalphasing.com/buster/manual/autobuster/manual/appendix1.html#SetvarParameter_GeometryWeight_torsion


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