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 [modeller-care@salilab.org] Sent: 06 June 2014 17:04 To: Wood, Chris (STFC,RAL,SC); modeller_usage@salilab.org Subject: Re: [modeller_usage] Reading density files
On 6/6/14, 7:53 AM, chris.wood@stfc.ac.uk 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 -- modeller-care@salilab.org http://www.salilab.org/modeller/ Modeller mail list: http://salilab.org/mailman/listinfo/modeller_usage