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Dear Ben,
I asked a similar question some time ago and unfortunately
get_model_filename is not enough.
The problem is that the code has “file = self.sequence + '.xxx'”
and “root_name=self.sequence” and “root_name=sequence”
sprinkled all over the place (and also loopmodel has a separate
get_loop_model_filename).
I second the request to provide a nice get_root_name or
get_job_name hook (defaulting to self.sequence) it would be
very convenient because often one has to play with various model parameters for
the same sequence and alignment.
Thank you
Eugene
-----Original Message-----
From: Modeller Caretaker
Sent: Saturday, August 8, 2020 1:33 AM
To: Brian Wiley ;
Subject: Re: [modeller_usage] Change ROOT_NAME for automodel.make()
On 8/7/20 2:21 PM, Brian Wiley wrote:
> a = automodel(env,
>
alnfile = 'TSC2_6ssh.ali',
>
knowns = ('6ssh'),
>
sequence = 'TSC2_HUMAN')
>
> a.make() # Here I want the prefix to be 'TSC2_6ssh' and not
> 'TSC2_HUMAN' so all files and pdb file at end would be
> TSC2_6ssh.B99990001.pdb
automodel is written under the assumption that files are named for the
sequence. If you want to name the output PDB files differently, that's
straightforward; just override get_model_filename() as per https://salilab.org/modeller/9.24/manual/node76.html
If you want to name the other output files differently, there isn't
currently a mechanism for that, but it would be easy enough to modify the Python
code to do so.
Ben Webb, Modeller Caretaker
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