object classes-symmodel, automodel, allhmodel, etc.
Hi there,
I have been building a set of models that have symmetry restraints in them, and I now want to build models with all hydrogens included. In the modelling script that I use, I create a symmodel object
class symmodel(automodel)
and then define the symmetry restraints followed by
a=symmodel(env, alnfile='*', knowns=('*'), sequence='*')
(the *'s represent the real file names used)
and finally
a.make()
This works fine. However, looking over the script in the online manual for creating an all hydrogen model, one must use the allhmodel class
a=allhmodel(...) . .
a.make()
in order to create the appropriate model.
My question is, if I have already created a symmodel class to enforce symmetry restraints, how can I create an all hydrogen model, if that process requires an allhmodel class object? I am a novice with Python, my understanding of objects is at best rudimentary.
Thanks for your help
Mike White
Mike White wrote: > I have been building a set of models that have symmetry restraints in > them, and I now want to build models with all hydrogens included. In the > modelling script that I use, I create a symmodel object > > class symmodel(automodel) ... > My question is, if I have already created a symmodel class to enforce > symmetry restraints, how can I create an all hydrogen model, if that > process requires an allhmodel class object? I am a novice with Python, > my understanding of objects is at best rudimentary.
Simply derive your symmodel class from allhmodel rather than automodel, i.e. use class symmodel(allhmodel)
Ben Webb, Modeller Caretaker
participants (2)
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Mike White
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Modeller Caretaker