Joaquim Rui Rodrigues wrote:
> 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.
There is currently no way to specify locations for these files in your
Python script, because the setup for these is done when Modeller starts
up (before you create your first environ object). You can either modify
the files in the Modeller distribution itself, or you can make a copy of
the modlib/libs.lib file, which in turn specifies the locations of other
files such as radii.lib. Then set the LIBS_LIB9v4 (or whatever your
Modeller version number is) environment variable to the location of the
new libs.lib file.
Ben Webb, Modeller Caretaker
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