最简单的蛋白质结构优化脚本 - FastRelax 示例
<FastRelax name='simple_relax' scorefxn='talaris2014'
disable_design='true'
task_operations='MinMover('backbone')'
packer_palette='auto'
repeats='5'
relaxscript='default'
cst_file=''
batch='false'
cartesian='false'
dualspace='false'
movemap_disables_packing_of_fixed_chi_positions='false'
ramp_down_constraints='false'
bondangle='false'
bondlength='false'
min_type='lbfgs_armijo_nonmonotone'
delete_virtual_residues_after_FastRelax='false'
movemap_factory=''
>
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