generate_resfile

pyrosetta.toolbox.generate_resfile.generate_resfile_from_pdb(pdbfilename, resfilename, pack=True, design=False, input_sc=True, freeze=[], specific={})

Writes a resfile for the PDB file <pdbfilename> named <resfilename>

<pack> = True allows packing by default <design> = True allows design using all amino acids by default <input_sc> = True allows usage of the original side chain conformation <freeze> is an optional list of (pose) residue numbers to exclude

(preserve the side chain conformations of these residues)

<specific> is an optional dictionary with (pose) residue numbers as keys

and resfile keywords as corresponding values (for setting individual residue options, it may be easier to add these numbers to freeze and edit the resfile manually)

example:

generate_resfile_from_pdb(‘1YY8.pdb’,‘1YY8.resfile’)

See also:

generate_resfile_from_pose Pose PackRotamersMover TaskFactory

pyrosetta.toolbox.generate_resfile.generate_resfile_from_pose(pose, resfilename, pack=True, design=False, input_sc=True, freeze=[], specific={})

Writes a resfile for <pose> named <resfilename>

<pack> = True allows packing by default <design> = True allows design using all amino acids by default <input_sc> = True allows usage of the original side chain conformation <freeze> is an optional list of (pose) residue numbers to exclude

(preserve the side chain conformations of these residues)

<specific> is an optional dictionary with (pose) residue numbers as keys

and resfile keywords as corresponding values (for setting individual residue options, it may be easier to add these numbers to freeze and edit the resfile manually)

example:

generate_resfile_from_pose(pose,‘1YY8.resfile’)

See also:

Pose PackRotamersMover TaskFactory