Пример #1
0
def mergeProteinAndMembranePdb(file,fileToMerge):
    '''
    Merges all amino acid lines in file with non protein atoms in filetoMerge
    the box size of fileToMerge is kept and the boxsize of file is discarded
    '''
    boxSize = pdb_util.findPDBBoxSize(fileToMerge)
    lines = pdb_util.findAllNonProtein(fileToMerge)
    toMerge = pdb_util.findAllAminoAcidLines(file)


    #backup the file
    versionFile(file)
    # #write new file
    with open(file,"w") as f:
        str = boxSize.strip() +'\n' + toMerge.strip() +'\n'+ lines.strip()
        f.write(str)

    logCommand("Merged the non Amino acid lines of %s with all the atoms in %s"%(file,fileToMerge))
Пример #2
0
def mergePdb(file,fileToMerge):
    '''
    merges the contents of fileToMerge into file
    backs up file before doing the merge

    All lines starting with ATOM in fileToMerge will be added to the top of the file
    '''

    with open(file,"r") as f:
        lines = f.readlines()
        toMerge = pdb_util.findAllAtomLines(fileToMerge)


    #backup the file
    versionFile(file)
    # #write new file
    with open(file,"w") as f:
        str = "".join(lines[1:4]) + toMerge +'\n'+ "".join(lines[4:])
        f.write(str)

    logCommand("Merged the pdb files %s %s"%(file,fileToMerge))