Re: [modeller_usage] Reading density files

[<>]

Oops - I should learn to read docs more carefully (and count the number of stars in a function call)! [Using the environ() in the contructor was just for my test script; I'll move it out for production code]

Cheers,
Chris
________________________________________
From: Modeller Caretaker []
Sent: 06 June 2014 17:04
To: Wood, Chris (STFC,RAL,SC); 
Subject: Re: [modeller_usage] Reading density files

On 6/6/14, 7:53 AM,  wrote:
>>>> m = modeller.density(modeller.environ(), "file.mrc", 10)

The constructor takes keyword arguments, not positional args (this makes
for more readable code anyway). Plus it generally makes sense to keep
the environ object around. So what you want here is
e = modeller.environ()
m = modeller.density(e, file="file.mrc", resolution=10,
                      em_density_format='MRC')

Note you need to specify the file format, otherwise it defaults to
XPLOR, and obviously an MRC file isn't valid XPLOR format ;)

        Ben Webb, Modeller Caretaker
--
             http://www.salilab.org/modeller/
Modeller mail list: http://salilab.org/mailman/listinfo/modeller_usage
-- 
Scanned by iCritical.