jitrayut jitonnom wrote:
I want to bond two disulfides (residue 20 and residue 66, res 105 and res 164) by using script below. But i did not bond any disulfides so why ?
...
a = automodel(env, alnfile='CD147-mult.ali', knowns=('1F97A','1NBQA','1EPFB'), sequence='CD147')
This line should start as a = mymodel(env, ... rather than a = automodel(env, ...so that you use the newly-defined 'mymodel' class, with the disulfide restraints.
Ben Webb, Modeller Caretaker -- modeller-care@salilab.org http://www.salilab.org/modeller/ Modeller mail list: http://salilab.org/mailman/listinfo/modeller_usage