Using non-standard parameter files: Difference between revisions

(Update for 10.0 class names, manual URLs)
m (4 revisions imported)
(No difference)

Revision as of 19:41, 16 August 2022

To use non-standard parameter files (restyp.lib, par.lib, top.lib) with the AutoModel class in Modeller 10.0:

  • You can specify a non-standard restyp.lib file when creating the Environ object. See the manual page.
  • To use non standard parameter and topology files, set the `toplib` and `parlib` members of the automodel object:
#!python
env = Environ(restyp_lib_file='myrestyp.lib')

a = AutoModel(env, ...)
a.toplib = 'mytop.lib'
a.parlib = 'mypar.lib'
a.make()