Dear Modellers,
I am trying to model a non-standard residue, with non-standard lib files, by following the examples in the wiki page "Using non-standard parameter files". This works fine for toplib and parlib. However, I also need to read my extended versions of radii.lib and radii14.lib.
Here is the relevant part of my script: env = environ(restyp_lib_file='/Users/jrui/modeller/LIBS/restyp.lib') class MyModel(automodel): .............. a = MyModel(env, ....) a.toplib = '/Users/jrui/modeller/LIBS/top_heav.lib' a.parlib = '/Users/jrui/modeller/LIBS/par.lib'
I tried the obvious a.radlib = '/Users/jrui/modeller/LIBS/radii.lib' but I get: runcmd_____W>: creation of new member 'radlib' in <Model containing 0 chains, 0 residues, and 0 atoms>: possible typo!
I searched for toplib and parlib in the manual but could not anything about these keywords. How can I tell modeller to read my radii files?
Many thanks, Rui Rodrigues
-- Webmail ESTG de Leiria (http://webmail.estg.ipleiria.pt)