src/proteingnn/example/data.py
def bglb_Tm_pose2pdb(pdb : Optional[AnyPath] = None) -> Dict:
    """pose2pdb from Rosetta to rcsb resid mapping for 2jie"""
    if not globals()['PYROSETTA_INIT']:
        pyrosetta.init('-out::level 0')
        globals()['PYROSETTA_INIT'] = True

    if pdb is None:
        pdb = 'data/2jie.pdb'

    pose = pyrosetta.pose_from_pdb(str(pdb))

    pose2pdb = {}
    for rosid in range(1, len(pose.residues) + 1):
        resid = pose.pdb_info().pose2pdb(rosid)
        resid = int(resid.split()[0])
        pose2pdb[rosid] = resid

    return pose2pdb
pose2pdb from Rosetta to rcsb resid mapping for 2jie
pose2pdb from Rosetta to rcsb resid mapping for 2jie
pose2pdb from Rosetta to rcsb resid mapping for 2jie
def bglb_Tm_pose2pdb(pdb : Optional[AnyPath] = None) -> Dict:
    if not globals()['PYROSETTA_INIT']:
        pyrosetta.init('-out::level 0')
        globals()['PYROSETTA_INIT'] = True
    if pdb is None:
        pdb = 'data/2jie.pdb'
    pose = pyrosetta.pose_from_pdb(str(pdb))
    pose2pdb = {}
    for rosid in range(1, len(pose.residues) + 1):
        resid = pose.pdb_info().pose2pdb(rosid)
        resid = int(resid.split()[0])
        pose2pdb[rosid] = resid
    return pose2pdb
def bglb_Tm_pose2pdb ( pdb : Optional [ AnyPath ] = None ) -> Dict : if not globals ( ) [ 'PYROSETTA_INIT' ] : pyrosetta . init ( '-out::level 0' ) globals ( ) [ 'PYROSETTA_INIT' ] = True if pdb is None : pdb = 'data/2jie.pdb' pose = pyrosetta . pose_from_pdb ( str ( pdb ) ) pose2pdb = { } for rosid in range ( 1 , len ( pose . residues ) + 1 ) : resid = pose . pdb_info ( ) . pose2pdb ( rosid ) resid = int ( resid . split ( ) [ 0 ] ) pose2pdb [ rosid ] = resid return pose2pdb
pose2pdb from Rosetta to rcsb resid mapping for 2jie
pose2pdb from Rosetta to rcsb resid mapping for 2jie
"""pose2pdb from Rosetta to rcsb resid mapping for 2jie"""
pdb
Optional[AnyPath]