Using non-standard parameter files: Difference between revisions
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To use non-standard parameter files (restyp.lib, par.lib, top.lib) with the automodel class in Modeller 9v1: | To use non-standard parameter files (restyp.lib, par.lib, top.lib) with the automodel class in Modeller 9v1: | ||
Revision as of 01:50, 4 June 2008
To use non-standard parameter files (restyp.lib, par.lib, top.lib) with the automodel class in Modeller 9v1:
- 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()