コード例 #1
0
def getStructure(id,path, modelChoose=None):
    # This function returns a Structure that will be from PDB file.
    # If there isn't PDB file, it will be obtained from PDB site

    pdbid = str(id) + ".PDB" 
    F = FcfrpFile(path,pdbid)
    if not F.existsFile():
        pdbFile = getPDBFromSite(id)
        savePDBFile(pdbFile, F._path)
    isPDBFile(F._path)        
    errors, vs = checkPDBFile(id, F.getPath())
    if len(errors) == 0:
       structure = loadStructure(id, F.getPath(), True)
       return structure
    else:
       s = FcfrpShowErrosDetails(vs, errors)
       s.showErrors()
       return loadStructure(id, F.getPath(), True)