Get raw alignment: Difference between revisions
Jump to navigation
Jump to search
(hidden objects) |
|||
Line 1: | Line 1: | ||
'''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]]. | '''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 [[Align|cmd.align]].'' | ''Please note:'' | ||
* ''The order of the atom tuples are not necessarily in the order in which the two (or more) selections were passed to [[Align|cmd.align]].'' | |||
* ''Will not return atom tuples of hidden objects (see also [[hide_underscore_names]])'' | |||
== PYMOL API == | == PYMOL API == |
Revision as of 08:33, 16 March 2012
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.
- Will not return atom tuples of hidden objects (see also hide_underscore_names)
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
- align
- find_pairs returns a list of lists of (object,index) tuples as well