Get raw alignment

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Revision as of 13:15, 18 August 2011 by Inchoate (talk | contribs) (EXAMPLE)
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get_raw_alignment is an API only function that returns a list of lists of (object,index) tuples containing the raw per-atom alignment relationships. Alignment objects can be created by passing the "object" argument to align or super.

Please note: The order of the atom tuples are not necessarily in the order in which the two (or more) selections were passed to cmd.align.


cmd.get_raw_alignment(string name)


# start a python block

# get two structures
cmd.fetch('2xwu 2x19', async=0)

# align and get raw alignment
cmd.align('/2xwu//B//CA', '/2x19//B//CA', cycles=0, transform=0, object='aln')
raw_aln = cmd.get_raw_alignment('aln')

# print residue pairs
for idx1, idx2 in raw_aln:
    print '%s`%d -> %s`%d' % tuple(idx1 + idx2)

#end the python block
python end