Difference between revisions of "Get raw alignment"

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(Created page with "'''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 b...")
 
(EXAMPLE)
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<source lang="python">
 
<source lang="python">
 +
# start a python block
 +
python
 +
 
# get two structures
 
# get two structures
 
cmd.fetch('2xwu 2x19', async=0)
 
cmd.fetch('2xwu 2x19', async=0)
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for idx1, idx2 in raw_aln:
 
for idx1, idx2 in raw_aln:
 
     print '%s`%d -> %s`%d' % tuple(idx1 + idx2)
 
     print '%s`%d -> %s`%d' % tuple(idx1 + idx2)
 +
 +
#end the python block
 +
python end
 
</source>
 
</source>
  

Revision as of 13:15, 18 August 2011

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.

PYMOL API

cmd.get_raw_alignment(string name)

EXAMPLE

# start a python block
python

# 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

SEE ALSO