env = <environ> | MODELLER environment | |
alnfile = <str:1> | file containing template-sequence alignment | |
knowns = <str:0> | template codes in alignment | |
sequence = <str:1> | sequence code in alignment | |
inimodel = <str:1> | initial model file | |
deviation = <float:1> | control amount of randomization | |
library_schedule = <int:1> | optimization schedule | |
toplib = <str:1> | topology library to use | |
parlib = <str:1> | parameter library to use | |
topology_model = <int:1> | topology submodel | |
csrfile = <str:1> | user-provided restraints file | |
inifile = <str:1> | user-provided initial model file | |
assess_methods = function(s) | assessment functions | |
loop_assess_methods = function(s) | assessment functions |
All other arguments are the same as those for automodel(), with the exception of those below:
loop_assess_methods is the analog of automodel.assess_methods for loop modeling, and allows you to request assessment of the generated loop models. (This can also be set after the object is created, by assigning to 'loopmodel.loop.assess_methods'.)
See section 2.2.9 for examples.